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CHEBI:115520 - benzoic acid [[5-[(2-chlorophenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino] ester

ChEBI IDCHEBI:115520
ChEBI Namebenzoic acid [[5-[(2-chlorophenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino] ester
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DownloadsMolfile
FormulaC20H15ClF3N3O2S
Net Charge0
Average Mass453.873
Monoisotopic Mass453.05256
SMILESCn1nc(C(F)(F)F)c(C=NOC(=O)c2ccccc2)c1SCc1ccccc1Cl
InChIInChI=1S/C20H15ClF3N3O2S/c1-27-18(30-12-14-9-5-6-10-16(14)21)15(17(26-27)20(22,23)24)11-25-29-19(28)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyAFVGONWLNGCEGV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
benzoic acid [[5-[(2-chlorophenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino] ester (CHEBI:115520) is a benzoic acids (CHEBI:22723)
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