1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Openeye Name: 1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole IUPAC Name: 1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 1-(2-methoxyphenyl)-5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole Formula: C23H18N4O7S MolecularWeight: 494.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C23H18N4O7S/c1-32-21-5-3-2-4-20(21)25-19-7-6-16(26(28)29)10-18(19)24-23(25)35-12-15-9-17(27(30)31)8-14-11-33-13-34-22(14)15/h2-10H,11-13H2,1H3