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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC(C)C)C

InChI

InChI=1S/C18H23N3O4S/c1-11(2)7-20-13(4)12(3)19-18(20)26-9-15-6-16(21(22)23)5-14-8-24-10-25-17(14)15/h5-6,11H,7-10H2,1-4H3