methyl 5-cyano-2-methyl-6-phenylsulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-phenylsulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-6-phenylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenylthio)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-phenylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(phenylthio)nicotinic acid methyl ester Formula: C15H12N2O2S MolecularWeight: 284.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC2=CC=CC=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=N1)SC2=CC=CC=C2)C#N)C(=O)OC

InChI

InChI=1S/C15H12N2O2S/c1-10-13(15(18)19-2)8-11(9-16)14(17-10)20-12-6-4-3-5-7-12/h3-8H,1-2H3