(3,4-dichlorophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3,4-dichlorophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (3,4-dichlorobenzyl) ester Formula: C21H13Cl2NO2S MolecularWeight: 414.30442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H13Cl2NO2S/c22-17-10-9-14(11-18(17)23)13-26-21(25)16-6-2-4-8-20(16)27-19-7-3-1-5-15(19)12-24/h1-11H,13H2