CHEBI:93546 - 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester
ChEBI ID CHEBI:93546
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H15F2N5O2S
Net Charge 0
Average Mass 415.418
Monoisotopic Mass 415.09145
InChI InChI=1S/C19H15F2N5O2S/c1-28-18(27)14-10-23-26(16-8-7-12(20)9-15(16)21)17(14)11-22-25-19(29)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29)
InChIKey HIGGKLHMWDDGKQ-UHFFFAOYSA-N
SMILES COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)NC3=CC=CC=C3
ChEBI Ontology
Outgoing 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93546) is a pyrazoles (CHEBI:26410)
5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93546) is a ring assembly (CHEBI:36820)
Manual Xref Database
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