[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chloranylbenzoate

Systemtic Name: [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chloranylbenzoate Openeye Name: [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-methyl-5-(phenylthio)-3-(trifluoromethyl)-4-pyrazolyl]methyl ester IUPAC Name: [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-methyl-5-(phenylthio)-3-(trifluoromethyl)pyrazol-4-yl]methyl ester Formula: C19H14ClF3N2O2S MolecularWeight: 426.83987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClF3N2O2S/c1-25-17(28-14-5-3-2-4-6-14)15(16(24-25)19(21,22)23)11-27-18(26)12-7-9-13(20)10-8-12/h2-10H,11H2,1H3