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

Systemtic Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(3-fluorobenzyl)-2-[(4-fluorobenzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H20F2N2O2S MolecularWeight: 438.489606

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20F2N2O2S/c1-2-30-23(29)18-8-11-22-21(13-18)27-24(31-15-16-6-9-19(25)10-7-16)28(22)14-17-4-3-5-20(26)12-17/h3-13H,2,14-15H2,1H3