ethyl 2-(cyanomethylsulfanyl)-4,6-diphenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-4,6-diphenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-4,6-diphenyl-pyridine-3-carboxylate CAS Name: 2-(cyanomethylthio)-4,6-diphenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-4,6-diphenylpyridine-3-carboxylate Traditional Name: 2-(cyanomethylthio)-4,6-diphenyl-nicotinic acid ethyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)SCC#N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)SCC#N

InChI

InChI=1S/C22H18N2O2S/c1-2-26-22(25)20-18(16-9-5-3-6-10-16)15-19(17-11-7-4-8-12-17)24-21(20)27-14-13-23/h3-12,15H,2,14H2,1H3