(2-cyanophenyl)methyl 2-[(2-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (2-cyanophenyl)methyl 2-[(2-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (2-cyanophenyl)methyl 2-[(2-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-cyanophenyl)methylthio]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(2-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-cyanobenzyl)thio]benzoic acid (2-cyanobenzyl) ester Formula: C23H16N2O2S MolecularWeight: 384.45034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3C#N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C23H16N2O2S/c24-13-17-7-1-3-9-19(17)15-27-23(26)21-11-5-6-12-22(21)28-16-20-10-4-2-8-18(20)14-25/h1-12H,15-16H2