ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)methyl]-2-(p-tolylmethylsulfanyl)benzimidazole-5-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-2-[(4-methylphenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(3-fluorobenzyl)-2-[(4-methylbenzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H23FN2O2S MolecularWeight: 434.525723

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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)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN2O2S/c1-3-30-24(29)20-11-12-23-22(14-20)27-25(31-16-18-9-7-17(2)8-10-18)28(23)15-19-5-4-6-21(26)13-19/h4-14H,3,15-16H2,1-2H3