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

Systemtic Name: 1-methyl-5-methylsulfonyl-3-nitro-1,2,4-triazole Openeye Name: 1-methyl-5-methylsulfonyl-3-nitro-1,2,4-triazole CAS Name: 1-methyl-5-methylsulfonyl-3-nitro-1,2,4-triazole IUPAC Name: 1-methyl-5-methylsulfonyl-3-nitro-1,2,4-triazole Traditional Name: 5-mesyl-1-methyl-3-nitro-1,2,4-triazole Formula: C4H6N4O4S MolecularWeight: 206.17984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C4H6N4O4S/c1-7-4(13(2,11)12)5-3(6-7)8(9)10/h1-2H3