ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-(1H-benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-(1H-benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C24H19ClN4O2S MolecularWeight: 462.95126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)Cl)C#N)SCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)Cl)C#N)SCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C24H19ClN4O2S/c1-3-31-24(30)21-14(2)27-23(17(12-26)22(21)15-8-10-16(25)11-9-15)32-13-20-28-18-6-4-5-7-19(18)29-20/h4-11H,3,13H2,1-2H3,(H,28,29)