cyanomethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: cyanomethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: cyanomethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid cyanomethyl ester Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC#N

InChI

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