4789490
  -OEChem-05122414212D

 35 37  0     0  0  0  0  0  0999 V2000
    3.4782   -2.0483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.4462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   -0.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    2.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    2.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138    0.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138   -0.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  2  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  6 26  1  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 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 18 21  1  0  0  0  0
 18 28  1  0  0  0  0
 19 22  2  0  0  0  0
 19 29  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4789490

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
543

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAAABwAAAHgQYAAAADAiF2ACxAYJiAAisAyFyMACDAIAkCBJfqBkgBNiIILKgnRGEIQBwgQIoiYcYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[4-amino-5-oxo-6-(2-thienyl)-1,2,4-triazin-3-yl]benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(4-amino-5-oxo-6-thiophen-2-yl-1,2,4-triazin-3-yl)benzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(4-amino-5-oxo-6-thiophen-2-yl-1,2,4-triazin-3-yl)benzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(4-amino-5-oxo-6-thiophen-2-yl-1,2,4-triazin-3-yl)benzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(4-azanyl-5-oxidanylidene-6-thiophen-2-yl-1,2,4-triazin-3-yl)benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[4-amino-5-keto-6-(2-thienyl)-1,2,4-triazin-3-yl]benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12N6O2S/c15-20-13(22)11(10-7-4-8-23-10)16-18-14(20)19-17-12(21)9-5-2-1-3-6-9/h1-8H,15H2,(H,17,21)(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAPZGQICSCUJDA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
328.07424482

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12N6O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
328.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NNC2=NN=C(C(=O)N2N)C3=CC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NNC2=NN=C(C(=O)N2N)C3=CC=CS3

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.07424482

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
1  13  8
1  20  8
10  12  8
13  15  8
14  18  8
14  19  8
15  17  8
17  20  8
18  21  8
19  22  8
21  23  8
22  23  8
4  11  8
4  12  8
7  10  8
7  8  8
8  11  8

$$$$