methyl 3-(phenylmethylsulfanyl)pyridine-4-carboxylate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)pyridine-4-carboxylate Openeye Name: methyl 3-benzylsulfanylpyridine-4-carboxylate CAS Name: 3-(phenylmethylthio)-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzylsulfanylpyridine-4-carboxylate Traditional Name: 3-(benzylthio)isonicotinic acid methyl ester Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C14H13NO2S/c1-17-14(16)12-7-8-15-9-13(12)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3