cyanomethyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: cyanomethyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: cyanomethyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid cyanomethyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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