pentyl 2-(2,3-dicyanophenyl)sulfanylbenzoate

Systemtic Name: pentyl 2-(2,3-dicyanophenyl)sulfanylbenzoate Openeye Name: pentyl 2-(2,3-dicyanophenyl)sulfanylbenzoate CAS Name: 2-[(2,3-dicyanophenyl)thio]benzoic acid pentyl ester IUPAC Name: pentyl 2-(2,3-dicyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2,3-dicyanophenyl)thio]benzoic acid amyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S/c1-2-3-6-12-24-20(23)16-9-4-5-10-18(16)25-19-11-7-8-15(13-21)17(19)14-22/h4-5,7-11H,2-3,6,12H2,1H3