737312
  -OEChem-05042406472D

 16 17  0     0  0  0  0  0  0999 V2000
    4.9889   -1.3776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    0.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
737312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
263

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjAABAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAAHAQQAAAACAjBAAQBAAPAAACEACRGQACAAAAAAgkICIAIAACIAAAAAQAAAAAIAAIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2H-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_CAS_NAME>
2H-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_NAME_MARKUP>
2<I>H</I>-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_NAME>
2H-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2H-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2H-imidazo[1,5-a]pyridine-3-thione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10)

> <PUBCHEM_IUPAC_INCHIKEY>
IPOYUTJDAMAUNH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
150.02516937

> <PUBCHEM_MOLECULAR_FORMULA>
C7H6N2S

> <PUBCHEM_MOLECULAR_WEIGHT>
150.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=CNC(=S)N2C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=CNC(=S)N2C=C1

> <PUBCHEM_CACTVS_TPSA>
47.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.02516937

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
2  4  8
2  5  8
2  7  8
3  5  8
3  6  8
4  6  8
4  8  8
7  9  8
8  10  8
9  10  8

$$$$