5-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1,2,3,4-oxatriazole

Systemtic Name: 5-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]-1,2,3,4-oxatriazole Openeye Name: 5-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]oxatriazole CAS Name: 5-[(1-methyl-5-nitro-2-imidazolyl)-sulfinylmethyl]oxatriazole IUPAC Name: 5-[(1-methyl-5-nitroimidazol-2-yl)-sulfinylmethyl]oxatriazole Traditional Name: 5-[(1-methyl-5-nitro-imidazol-2-yl)-sulfinyl-methyl]oxatriazole Formula: C6H4N6O4S MolecularWeight: 256.19876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=S=O)C2=NN=NO2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(=S=O)C2=NN=NO2)[N+](=O)[O-]

InChI

InChI=1S/C6H4N6O4S/c1-11-3(12(13)14)2-7-5(11)4(17-15)6-8-9-10-16-6/h2H,1H3