5-methylsulfonyl-3-nitro-1H-1,2,4-triazole

Systemtic Name: 5-methylsulfonyl-3-nitro-1H-1,2,4-triazole Openeye Name: 5-methylsulfonyl-3-nitro-1H-1,2,4-triazole CAS Name: 5-methylsulfonyl-3-nitro-1H-1,2,4-triazole IUPAC Name: 5-methylsulfonyl-3-nitro-1H-1,2,4-triazole Traditional Name: 5-mesyl-3-nitro-1H-1,2,4-triazole Formula: C3H4N4O4S MolecularWeight: 192.15326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1)[N+](=O)[O-]

InChI

InChI=1S/C3H4N4O4S/c1-12(10,11)3-4-2(5-6-3)7(8)9/h1H3,(H,4,5,6)