5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitro-imidazole

Systemtic Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitro-imidazole Openeye Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitro-imidazole CAS Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitroimidazole IUPAC Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitroimidazole Traditional Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]-1-methyl-4-nitro-imidazole Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S2/c1-15-8-14-11(16(17)18)12(15)19-10-4-2-9(3-5-10)13-20-6-7-21-13/h2-5,8,13H,6-7H2,1H3