(3-cyanophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (3-cyanophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-cyanobenzyl) ester Formula: C22H16ClNO2S MolecularWeight: 393.88594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H16ClNO2S/c23-20-8-10-21(11-9-20)27-15-16-4-6-19(7-5-16)22(25)26-14-18-3-1-2-17(12-18)13-24/h1-12H,14-15H2