(3-methyl-5-nitro-imidazol-4-yl) thiocyanate

Systemtic Name: (3-methyl-5-nitro-imidazol-4-yl) thiocyanate Openeye Name: (3-methyl-5-nitro-imidazol-4-yl) thiocyanate CAS Name: thiocyanic acid (3-methyl-5-nitro-4-imidazolyl) ester IUPAC Name: (3-methyl-5-nitroimidazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (3-methyl-5-nitro-imidazol-4-yl) ester Formula: C5H4N4O2S MolecularWeight: 184.17586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC#N)[N+](=O)[O-]

InChI

InChI=1S/C5H4N4O2S/c1-8-3-7-4(9(10)11)5(8)12-2-6/h3H,1H3