547350
 OpenBabel05082101102D

 31 31  0  0  1  0  0  0  0  0999 V2000
    3.7320   -0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
547350

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
118

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAABgAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAQQAAAACADFQASCAALAAAgAAAAAAAAAAQBAABAAAIAIAAAAAAAgAAAEAAAAEACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_NAME>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4,6-triethyl-1,3,5-dithiazinane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
AANIECMHWBXFCP-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4

>  <PUBCHEM_EXACT_MASS>
205.095892

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H19NS2

>  <PUBCHEM_MOLECULAR_WEIGHT>
205.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1NC(SC(S1)CC)CC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1NC(SC(S1)CC)CC

>  <PUBCHEM_CACTVS_TPSA>
62.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
205.095892

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
4  7  3
5  8  3

$$$$
