[4-(4-cyanophenyl)phenyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H18ClNO2S MolecularWeight: 455.95532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H18ClNO2S/c28-24-11-15-26(16-12-24)32-18-20-3-7-23(8-4-20)27(30)31-25-13-9-22(10-14-25)21-5-1-19(17-29)2-6-21/h1-16H,18H2