(4-methylsulfanylphenyl) 3-cyanobenzoate

Systemtic Name: (4-methylsulfanylphenyl) 3-cyanobenzoate Openeye Name: (4-methylsulfanylphenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(methylthio)phenyl] ester Formula: C15H11NO2S MolecularWeight: 269.31834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO2S/c1-19-14-7-5-13(6-8-14)18-15(17)12-4-2-3-11(9-12)10-16/h2-9H,1H3