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

Systemtic Name: ethyl 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-1-[(3-fluorophenyl)methyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethylphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-1-(3-fluorobenzyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C26H25FN2O2S MolecularWeight: 448.552303

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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)C)CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2O2S/c1-4-31-25(30)21-10-11-24-23(14-21)28-26(29(24)15-19-6-5-7-22(27)13-19)32-16-20-9-8-17(2)18(3)12-20/h5-14H,4,15-16H2,1-3H3