methyl 3-[(4-cyanophenyl)methylsulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-cyanophenyl)methylsulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-cyanophenyl)methylsulfanylmethyl]benzoate CAS Name: 3-[[(4-cyanophenyl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)methylsulfanylmethyl]benzoate Traditional Name: 3-[[(4-cyanobenzyl)thio]methyl]benzoic acid methyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H15NO2S/c1-20-17(19)16-4-2-3-15(9-16)12-21-11-14-7-5-13(10-18)6-8-14/h2-9H,11-12H2,1H3