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

Systemtic Name: 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C24H18N4O5S MolecularWeight: 474.48852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H18N4O5S/c1-33-21-9-5-4-8-20(21)27-19-11-10-15(28(31)32)14-18(19)25-24(27)34-13-12-26-22(29)16-6-2-3-7-17(16)23(26)30/h2-11,14H,12-13H2,1H3