N-(4-fluoranyl-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C22H16FN5O6S MolecularWeight: 497.455743

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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)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN5O6S/c1-34-20-5-3-2-4-18(20)26-17-9-7-14(27(30)31)11-16(17)25-22(26)35-12-21(29)24-13-6-8-15(23)19(10-13)28(32)33/h2-11H,12H2,1H3,(H,24,29)