ethyl 2-[(3-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-(m-tolylmethylsulfanyl)-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[(3-methylphenyl)methylthio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[(3-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(=C3)C)CC4=CC=CC=N4

Isomeric SMILES

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

InChI

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