1-(4-chloranyl-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethanone Formula: C22H15ClN4O6S MolecularWeight: 498.8957

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O6S/c1-33-21-5-3-2-4-18(21)25-17-9-7-14(26(29)30)11-16(17)24-22(25)34-12-20(28)13-6-8-15(23)19(10-13)27(31)32/h2-11H,12H2,1H3