methyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: methyl 6-benzylsulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenylmethylthio)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-nicotinic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)OC

InChI

InChI=1S/C16H14N2O2S/c1-11-14(16(19)20-2)8-13(9-17)15(18-11)21-10-12-6-4-3-5-7-12/h3-8H,10H2,1-2H3