7159
 OpenBabel05082101102D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.4783    0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0619    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7159

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
234

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzAABgAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFix8AAAHAQAAAAACAiBVgAwwbIIEAikASRiRACC0SRhGjAImCQwdJgIYOLAkZGUIAhggADIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_CAS_NAME>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_NAME>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1,3]dithiolo[4,5-b]quinoxaline-2-thione

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H

>  <PUBCHEM_IUPAC_INCHIKEY>
ILERPRJWJPJZDN-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
235.953662

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H4N2S3

>  <PUBCHEM_MOLECULAR_WEIGHT>
236.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=C3C(=N2)SC(=S)S3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=C3C(=N2)SC(=S)S3

>  <PUBCHEM_CACTVS_TPSA>
109

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.953662

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
1  14  8
1  8  8
10  12  8
11  13  8
12  13  8
2  14  8
2  9  8
4  6  8
4  8  8
5  7  8
5  9  8
6  10  8
6  7  8
7  11  8
8  9  8

$$$$
