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

Systemtic Name: 1-(4-ethoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Openeye Name: 1-(4-ethoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 1-(4-ethoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole IUPAC Name: 1-(4-ethoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-p-phenetyl-benzimidazole Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H21N3O5S/c1-2-31-20-9-7-18(8-10-20)26-22-6-4-3-5-21(22)25-24(26)33-14-17-12-19(27(28)29)11-16-13-30-15-32-23(16)17/h3-12H,2,13-15H2,1H3