ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-2-methyl-4-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-phenyl-6-(phenylmethylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-2-methyl-4-phenylpyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-4-phenyl-nicotinic acid ethyl ester Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C#N)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C#N)SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H20N2O2S/c1-3-27-23(26)20-16(2)25-22(28-15-17-10-6-4-7-11-17)19(14-24)21(20)18-12-8-5-9-13-18/h4-13H,3,15H2,1-2H3