[(E)-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate

Systemtic Name: [(E)-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate Openeye Name: [(E)-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino] benzoate CAS Name: benzoic acid [(E)-[1-methyl-5-(phenylthio)-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino] ester IUPAC Name: [(E)-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] benzoate Traditional Name: benzoic acid [(E)-[1-methyl-5-(phenylthio)-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino] ester Formula: C19H14F3N3O2S MolecularWeight: 405.39357

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)/C=N/OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H14F3N3O2S/c1-25-17(28-14-10-6-3-7-11-14)15(16(24-25)19(20,21)22)12-23-27-18(26)13-8-4-2-5-9-13/h2-12H,1H3/b23-12+