S-(4-methylphenyl) 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate

Systemtic Name: S-(4-methylphenyl) 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Openeye Name: S-(p-tolyl) 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzenecarbothioate CAS Name: 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Traditional Name: 3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]thiobenzoic acid S-(p-tolyl) ester Formula: C21H16F3NO2S MolecularWeight: 403.41745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F

InChI

InChI=1S/C21H16F3NO2S/c1-14-5-8-18(9-6-14)28-20(27)16-4-2-3-15(11-16)12-25-13-17(21(22,23)24)7-10-19(25)26/h2-11,13H,12H2,1H3