(3-cyanophenyl)methyl 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (3-cyanobenzyl) ester Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CSC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CSC2=CC=C(C=C2)Cl)C#N

InChI

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