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

Systemtic Name: 5-ethylsulfonyl-3-nitro-1H-1,2,4-triazole Openeye Name: 5-ethylsulfonyl-3-nitro-1H-1,2,4-triazole CAS Name: 5-ethylsulfonyl-3-nitro-1H-1,2,4-triazole IUPAC Name: 5-ethylsulfonyl-3-nitro-1H-1,2,4-triazole Traditional Name: 5-esyl-3-nitro-1H-1,2,4-triazole Formula: C4H6N4O4S MolecularWeight: 206.17984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6N4O4S/c1-2-13(11,12)4-5-3(6-7-4)8(9)10/h2H2,1H3,(H,5,6,7)