1-cyanoethyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: 1-cyanoethyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: 1-cyanoethyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid 1-cyanoethyl ester Formula: C17H12N2O2S MolecularWeight: 308.35438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C17H12N2O2S/c1-12(10-18)21-17(20)14-7-3-5-9-16(14)22-15-8-4-2-6-13(15)11-19/h2-9,12H,1H3