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

Systemtic Name: 6-ethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-ethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-ethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 6-ethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-ethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H17N3O5S/c1-2-25-14-3-4-15-16(7-14)20-18(19-15)27-9-12-6-13(21(22)23)5-11-8-24-10-26-17(11)12/h3-7H,2,8-10H2,1H3,(H,19,20)