1-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(4-fluorophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(4-fluorophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethanone Formula: C22H16FN3O4S MolecularWeight: 437.443543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O4S/c1-30-21-5-3-2-4-19(21)25-18-11-10-16(26(28)29)12-17(18)24-22(25)31-13-20(27)14-6-8-15(23)9-7-14/h2-12H,13H2,1H3