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

Systemtic Name: 6-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H15N3O5S/c1-23-13-2-3-14-15(6-13)19-17(18-14)26-8-11-5-12(20(21)22)4-10-7-24-9-25-16(10)11/h2-6H,7-9H2,1H3,(H,18,19)