S-(4-methylphenyl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioate

Systemtic Name: S-(4-methylphenyl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-(p-tolyl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-methyl-3-(trifluoromethyl)-4-pyrazolecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioic acid S-(p-tolyl) ester Formula: C13H11F3N2OS MolecularWeight: 300.29945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CN(N=C2C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CN(N=C2C(F)(F)F)C

InChI

InChI=1S/C13H11F3N2OS/c1-8-3-5-9(6-4-8)20-12(19)10-7-18(2)17-11(10)13(14,15)16/h3-7H,1-2H3