ethyl 2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3-fluoro-4-methyl-phenyl)methylsulfanyl]-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[(3-fluoro-4-methylphenyl)methylthio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-fluoro-4-methylphenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[(3-fluoro-4-methyl-benzyl)thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C24H22FN3O2S MolecularWeight: 435.513783

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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)C)F)CC4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O2S/c1-3-30-23(29)18-9-10-22-21(13-18)27-24(28(22)14-19-6-4-5-11-26-19)31-15-17-8-7-16(2)20(25)12-17/h4-13H,3,14-15H2,1-2H3