[3-(trifluoromethyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H14F3NO2S MolecularWeight: 413.41227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H14F3NO2S/c23-22(24,25)17-8-5-6-15(12-17)14-28-21(27)18-9-2-4-11-20(18)29-19-10-3-1-7-16(19)13-26/h1-12H,14H2