CHEBI:92945 - 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester
ChEBI ID CHEBI:92945
Stars This entity has been manually annotated by a third party.
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Formula C14H13F2N5O2S
Net Charge 0
Average Mass 353.349
Monoisotopic Mass 353.07580
InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
InChIKey CZWSVMYPLKKOOE-UHFFFAOYSA-N
SMILES CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC
ChEBI Ontology
Outgoing 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester (CHEBI:92945) is a pyrazoles (CHEBI:26410)
1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester (CHEBI:92945) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-3199 LINCS
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