2-(4-chlorophenyl)sulfanylethyl 3-cyanobenzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-cyanobenzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C16H12ClNO2S MolecularWeight: 317.78998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H12ClNO2S/c17-14-4-6-15(7-5-14)21-9-8-20-16(19)13-3-1-2-12(10-13)11-18/h1-7,10H,8-9H2