methyl 2-(cyanomethylsulfanyl)-5,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-5,6-dimethyl-pyridine-3-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-5,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-(cyanomethylthio)-5,6-dimethyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-5,6-dimethylpyridine-3-carboxylate Traditional Name: 2-(cyanomethylthio)-5,6-dimethyl-nicotinic acid methyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1)C(=O)OC)SCC#N)C

Isomeric SMILES

CC1=C(N=C(C(=C1)C(=O)OC)SCC#N)C

InChI

InChI=1S/C11H12N2O2S/c1-7-6-9(11(14)15-3)10(13-8(7)2)16-5-4-12/h6H,5H2,1-3H3