11616
 OpenBabel05082101102D

  7  4  0  0  0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  3  0  0  0  0
  5  7  3  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
11616

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
31.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAABgAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
plumbous;dithiocyanate

>  <PUBCHEM_IUPAC_CAS_NAME>
lead(2+);dithiocyanate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
lead(2+);dithiocyanate

>  <PUBCHEM_IUPAC_NAME>
lead(2+);dithiocyanate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lead(2+);dithiocyanate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
plumbous;dithiocyanate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
VRNINGUKUJWZTH-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
323.92694

>  <PUBCHEM_MOLECULAR_FORMULA>
C2N2PbS2

>  <PUBCHEM_MOLECULAR_WEIGHT>
323

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)[S-].C(#N)[S-].[Pb+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)[S-].C(#N)[S-].[Pb+2]

>  <PUBCHEM_CACTVS_TPSA>
49.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.92694

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
