2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H16N4O5S MolecularWeight: 460.46194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16N4O5S/c1-32-20-9-5-4-8-19(20)26-18-11-10-14(27(30)31)12-17(18)24-23(26)33-13-25-21(28)15-6-2-3-7-16(15)22(25)29/h2-12H,13H2,1H3