S-(4-methylphenyl) 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carbothioate Openeye Name: S-(p-tolyl) 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carbothioate CAS Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrazolecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carbothioate Traditional Name: 5-methyl-2-[3-(trifluoromethyl)benzyl]pyrazole-3-carbothioic acid S-(p-tolyl) ester Formula: C20H17F3N2OS MolecularWeight: 390.42199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CC(=NN2CC3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CC(=NN2CC3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C20H17F3N2OS/c1-13-6-8-17(9-7-13)27-19(26)18-10-14(2)24-25(18)12-15-4-3-5-16(11-15)20(21,22)23/h3-11H,12H2,1-2H3