ethyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 2-[[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid ethyl ester Formula: C23H17F3N2O2S MolecularWeight: 442.45349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C23H17F3N2O2S/c1-2-30-22(29)17-11-7-6-10-16(17)14-31-21-18(13-27)19(23(24,25)26)12-20(28-21)15-8-4-3-5-9-15/h3-12H,2,14H2,1H3