null
  CDK     0224162153
null
 28 30  0  0  0  0  0  0  0  0999 V2000
    2.7512   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -2.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -2.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781   -5.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -5.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124   -7.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -6.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -7.7134    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9177   -4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5308   -4.5561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154   -4.3012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -4.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7570   -5.6602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7131   -4.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3262   -5.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1109   -4.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7240   -5.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524   -6.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7678   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1547   -5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  5  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
 13 16  1  0  0  0  0 
 17  6  1  4  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:92564

> <NAME>
5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester

> <STAR>
2

> <FORMULA>
C19H16ClN5O2S

> <MASS>
413.882

> <MONOISOTOPIC_MASS>
413.07132

> <CHARGE>
0

> <SMILES>
COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)NC3=CC=CC=C3

> <INCHI>
InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-9-7-13(20)8-10-15)17(16)12-21-24-19(28)23-14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,28)

> <INCHIKEY>
IOTJXEMRQZVVKK-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-2707

$$$$