2-(4-chlorophenyl)sulfanylethyl 2-(2-cyanophenyl)benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-(2-cyanophenyl)benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C22H16ClNO2S MolecularWeight: 393.88594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

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