9580508
  -OEChem-05122405382D

 32 34  0     0  0  0  0  0  0999 V2000
    5.2463   -1.0967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827   -1.3242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0881    0.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2221    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7579   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8919   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    0.8100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5772   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1599   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0772    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    0.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6240   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045   -1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6240    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    1.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161    0.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    0.8915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438   -1.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0870    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7579   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 31  1  0  0  0  0
  6 15  2  0  0  0  0
  7 17  2  0  0  0  0
  7 22  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 30  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
9580508

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
418

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABgAAAAAAAAAAAAAAAAASJAAAAsAAAAAAAAAAAB+AAAHAQcAAAACAjFUgS98ZJ6UAilADZnZwCThKkxGjB82Dg4dJqIYOLgkZGUIAhgmILoyCcQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-nitro-N-[(E)-[5-(2-thienyl)-2-thienyl]methyleneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-nitro-N-[(E)-(5-thiophen-2-yl-2-thiophenyl)methylideneamino]-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-nitro-<I>N</I>-[(<I>E</I>)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
5-nitro-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-nitro-2-pyridyl)-[(E)-[5-(2-thienyl)-2-thienyl]methyleneamino]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N4O2S2/c19-18(20)10-3-6-14(15-8-10)17-16-9-11-4-5-13(22-11)12-2-1-7-21-12/h1-9H,(H,15,17)/b16-9+

> <PUBCHEM_IUPAC_INCHIKEY>
XDRGLXMDXCLMDW-CXUHLZMHSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
330.02451792

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N4O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
330.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSC(=C1)C2=CC=C(S2)C=NNC3=NC=C(C=C3)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSC(=C1)C2=CC=C(S2)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.02451792

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  11  8
1  9  8
10  14  8
11  13  8
12  13  8
14  16  8
16  18  8
17  19  8
19  21  8
2  10  8
2  18  8
20  21  8
20  22  8
7  17  8
7  22  8
9  12  8

$$$$