(4-methylsulfanylphenyl)methyl 4-cyanobenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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