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

Systemtic Name: 1-(4-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Openeye Name: 1-(4-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 1-(4-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole IUPAC Name: 1-(4-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 1-(4-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C23H19N3O5S/c1-29-19-8-6-17(7-9-19)25-21-5-3-2-4-20(21)24-23(25)32-13-16-11-18(26(27)28)10-15-12-30-14-31-22(15)16/h2-11H,12-14H2,1H3