26041
  -OEChem-04232411122D

 25 24  0     0  0  0  0  0  0999 V2000
    5.4641   -0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  CHG  7   1   2   2  -1   3  -1   4  -1   5  -1   6   1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
26041

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
183

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABgAAACAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAQEAAAACADBUgQ8gZIYEACgADBnRACC0CAxAiAo2Dg4ZJoIIOLAkZGEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;1-oxidopyridin-1-ium-2-thiolate

> <PUBCHEM_IUPAC_CAS_NAME>
zinc;1-oxido-2-pyridin-1-iumthiolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;1-oxidopyridin-1-ium-2-thiolate

> <PUBCHEM_IUPAC_NAME>
zinc;1-oxidopyridin-1-ium-2-thiolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;1-oxidanidylpyridin-1-ium-2-thiolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;1-oxidopyridin-1-ium-2-thiolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
OTPSWLRZXRHDNX-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
315.931862

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8N2O2S2Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
317.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]

> <PUBCHEM_CACTVS_TPSA>
52.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.931862

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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_NONSTANDARDBOND>
1  2  6
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  16  8
15  17  8
6  12  8
6  8  8
7  13  8
7  9  8
8  10  8
9  11  8

$$$$