1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole

Systemtic Name: 1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Openeye Name: 1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole CAS Name: 1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole IUPAC Name: 1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Traditional Name: 1-butyl-4,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C

InChI

InChI=1S/C18H23N3O4S/c1-4-5-6-20-13(3)12(2)19-18(20)26-10-15-8-16(21(22)23)7-14-9-24-11-25-17(14)15/h7-8H,4-6,9-11H2,1-3H3