2-[(2,6-dimethoxyphenyl)sulfanylmethyl]-6-(4-fluorophenyl)-5-imidazol-1-yl-1H-benzimidazole

Systemtic Name: 2-[(2,6-dimethoxyphenyl)sulfanylmethyl]-6-(4-fluorophenyl)-5-imidazol-1-yl-1H-benzimidazole Openeye Name: 2-[(2,6-dimethoxyphenyl)sulfanylmethyl]-6-(4-fluorophenyl)-5-imidazol-1-yl-1H-benzimidazole CAS Name: 2-[[(2,6-dimethoxyphenyl)thio]methyl]-6-(4-fluorophenyl)-5-(1-imidazolyl)-1H-benzimidazole IUPAC Name: 2-[(2,6-dimethoxyphenyl)sulfanylmethyl]-6-(4-fluorophenyl)-5-imidazol-1-yl-1H-benzimidazole Traditional Name: 2-[[(2,6-dimethoxyphenyl)thio]methyl]-6-(4-fluorophenyl)-5-imidazol-1-yl-1H-benzimidazole Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)SCC2=NC3=C(N2)C=C(C(=C3)N4C=CN=C4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C(=CC=C1)OC)SCC2=NC3=C(N2)C=C(C(=C3)N4C=CN=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O2S/c1-31-22-4-3-5-23(32-2)25(22)33-14-24-28-19-12-18(16-6-8-17(26)9-7-16)21(13-20(19)29-24)30-11-10-27-15-30/h3-13,15H,14H2,1-2H3,(H,28,29)