ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=N4

InChI

InChI=1S/C23H20ClN3O2S/c1-2-29-22(28)17-8-11-21-20(13-17)26-23(27(21)14-19-5-3-4-12-25-19)30-15-16-6-9-18(24)10-7-16/h3-13H,2,14-15H2,1H3