(4-methylsulfanylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-(methylthio)benzyl] ester Formula: C22H17NO2S2 MolecularWeight: 391.50588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H17NO2S2/c1-26-18-12-10-16(11-13-18)15-25-22(24)19-7-3-5-9-21(19)27-20-8-4-2-6-17(20)14-23/h2-13H,15H2,1H3