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

Systemtic Name: 1-(2-methylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Openeye Name: 1-isobutyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 1-(2-methylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole IUPAC Name: 1-(2-methylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 1-isobutyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H21N3O4S/c1-13(2)9-22-18-6-4-3-5-17(18)21-20(22)28-11-15-8-16(23(24)25)7-14-10-26-12-27-19(14)15/h3-8,13H,9-12H2,1-2H3