24898648
  -OEChem-04242411552D

 40 40  0     0  0  0  0  0  0999 V2000
    1.6819    3.6200    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    5.1251    4.3519    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0373    6.2360    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6524    5.1145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   10.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819    2.6200    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.1350   11.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    4.1200    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.5479    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   12.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   10.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    3.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   11.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   10.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    4.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306    5.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   12.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   12.9760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    3.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   12.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   10.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  1  0  0  0  0
 11 19  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 25  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  3   1   2   9  -1  14  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24898648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AABAGAAAAAAABAAAAAAAAQAAAAAsWIAAAAAAAAAB4AAAHARAAAABiAjBVgQ8gJIIEAigATRnRACCgCAxAiAI2CA4ZJgIYOLAkZGUIAhggADIyAcQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridyl)pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridinyl)pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
benzene;4,5-dibromo-2<I>H</I>-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine

> <PUBCHEM_IUPAC_NAME>
benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
benzene;4,5-bis(bromanyl)-2H-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridyl)pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8N2.C6H5.C4HBr2S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;5-3-1-2-7-4(3)6;/h1-8H;1-5H;1H;/q;2*-1;+2

> <PUBCHEM_IUPAC_INCHIKEY>
UULUMMWEHPFGII-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
668.88719

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14Br2N2PtS

> <PUBCHEM_MOLECULAR_WEIGHT>
669.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=[C-]C=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=[C-]SC(=C1Br)Br.[Pt+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=[C-]C=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=[C-]SC(=C1Br)Br.[Pt+2]

> <PUBCHEM_CACTVS_TPSA>
51.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
666.88924

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  14  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
11  19  8
12  15  8
13  16  8
14  20  8
15  17  8
16  17  8
18  21  8
19  22  8
20  25  8
21  23  8
22  24  8
25  26  8
4  14  8
4  26  8
5  23  8
5  7  8
6  24  8
6  8  8
7  10  8
8  11  8
9  12  8
9  13  8

$$$$