2-methyl-4-(3-methylbutylsulfanyl)-5-nitro-1H-imidazole

Systemtic Name: 2-methyl-4-(3-methylbutylsulfanyl)-5-nitro-1H-imidazole Openeye Name: 4-isopentylsulfanyl-2-methyl-5-nitro-1H-imidazole CAS Name: 2-methyl-4-(3-methylbutylthio)-5-nitro-1H-imidazole IUPAC Name: 2-methyl-4-(3-methylbutylsulfanyl)-5-nitro-1H-imidazole Traditional Name: 4-(isoamylthio)-2-methyl-5-nitro-1H-imidazole Formula: C9H15N3O2S MolecularWeight: 229.2993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCCC(C)C

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCCC(C)C

InChI

InChI=1S/C9H15N3O2S/c1-6(2)4-5-15-9-8(12(13)14)10-7(3)11-9/h6H,4-5H2,1-3H3,(H,10,11)