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

Systemtic Name: ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C23H19Cl2N3O2S MolecularWeight: 472.38686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19Cl2N3O2S/c1-2-30-22(29)15-7-9-21-20(11-15)27-23(28(21)13-18-5-3-4-10-26-18)31-14-16-6-8-17(24)12-19(16)25/h3-12H,2,13-14H2,1H3