(4-methylsulfanylphenyl)methyl 3-cyanobenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-cyanobenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(methylthio)benzyl] ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO2S/c1-20-15-7-5-12(6-8-15)11-19-16(18)14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3