1-cyanoethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: 1-cyanoethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: 1-cyanoethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid 1-cyanoethyl ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO2S/c1-12(10-19)21-17(20)14-4-2-13(3-5-14)11-22-16-8-6-15(18)7-9-16/h2-9,12H,11H2,1H3