ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-4-methyl-6-(phenacylthio)-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-methyl-6-phenacylsulfanyl-2-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-4-methyl-6-(phenacylthio)-2-phenyl-nicotinic acid ethyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H20N2O3S/c1-3-29-24(28)21-16(2)19(14-25)23(26-22(21)18-12-8-5-9-13-18)30-15-20(27)17-10-6-4-7-11-17/h4-13H,3,15H2,1-2H3