ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-phenyl-pyridine-3-carboxylate CAS Name: 6-[(4-chlorophenyl)methylthio]-5-cyano-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-phenylpyridine-3-carboxylate Traditional Name: 6-[(4-chlorobenzyl)thio]-5-cyano-2-phenyl-nicotinic acid ethyl ester Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H17ClN2O2S/c1-2-27-22(26)19-12-17(13-24)21(25-20(19)16-6-4-3-5-7-16)28-14-15-8-10-18(23)11-9-15/h3-12H,2,14H2,1H3