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

Systemtic Name: S-(4-chlorophenyl) 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Openeye Name: S-(4-chlorophenyl) 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzenecarbothioate CAS Name: 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Traditional Name: 3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]thiobenzoic acid S-(4-chlorophenyl) ester Formula: C20H13ClF3NO2S MolecularWeight: 423.83593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H13ClF3NO2S/c21-16-5-7-17(8-6-16)28-19(27)14-3-1-2-13(10-14)11-25-12-15(20(22,23)24)4-9-18(25)26/h1-10,12H,11H2