methyl 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylate

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylate Openeye Name: methyl 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylate CAS Name: 3-[[4-(methylthio)phenyl]methyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxylate Traditional Name: 3-[4-(methylthio)benzyl]isonicotinic acid methyl ester Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)CC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H15NO2S/c1-18-15(17)14-7-8-16-10-12(14)9-11-3-5-13(19-2)6-4-11/h3-8,10H,9H2,1-2H3