[4-chloranyl-2-(phenylmethyl)phenyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2-benzyl-4-chloro-phenyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-benzyl-4-chloro-phenyl) ester Formula: C27H18ClNO2S MolecularWeight: 455.95532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

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