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

Systemtic Name: ethyl 2-[(2-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-(o-tolylmethylsulfanyl)-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[(2-methylphenyl)methylthio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[(2-methylbenzyl)thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC=C3C)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC=C3C)CC4=CC=CC=N4

InChI

InChI=1S/C24H23N3O2S/c1-3-29-23(28)18-11-12-22-21(14-18)26-24(27(22)15-20-10-6-7-13-25-20)30-16-19-9-5-4-8-17(19)2/h4-14H,3,15-16H2,1-2H3