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

Systemtic Name: ethyl 5-cyano-6-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2,4-dichlorophenyl)methylthio]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2,4-dichlorobenzyl)thio]-2-phenyl-nicotinic acid ethyl ester Formula: C22H16Cl2N2O2S MolecularWeight: 443.34564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N2O2S/c1-2-28-22(27)18-10-16(12-25)21(26-20(18)14-6-4-3-5-7-14)29-13-15-8-9-17(23)11-19(15)24/h3-11H,2,13H2,1H3