cyanomethyl 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: cyanomethyl 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: cyanomethyl 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid cyanomethyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC#N

InChI

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