CHEBI:92564 - 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester
ChEBI ID CHEBI:92564
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H16ClN5O2S
Net Charge 0
Average Mass 413.882
Monoisotopic Mass 413.07132
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
SMILES COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)NC3=CC=CC=C3
ChEBI Ontology
Outgoing 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:92564) is a pyrazoles (CHEBI:26410)
5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:92564) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-2707 LINCS
View more database links