1-[2,4-bis(oxidanyl)phenyl]-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[2,4-bis(oxidanyl)phenyl]-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,4-dihydroxyphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,4-dihydroxyphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(2,4-dihydroxyphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethanone Formula: C22H17N3O6S MolecularWeight: 451.45188

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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=C(C=C(C=C4)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6S/c1-31-21-5-3-2-4-18(21)24-17-9-6-13(25(29)30)10-16(17)23-22(24)32-12-20(28)15-8-7-14(26)11-19(15)27/h2-11,26-27H,12H2,1H3