4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazole-3-sulfonic acid

Systemtic Name: 4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazole-3-sulfonic acid Openeye Name: 4-methyl-5-(5-nitro-2-furyl)-1,2,4-triazole-3-sulfonic acid CAS Name: 4-methyl-5-(5-nitro-2-furanyl)-1,2,4-triazole-3-sulfonic acid IUPAC Name: 4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazole-3-sulfonic acid Traditional Name: 4-methyl-5-(5-nitro-2-furyl)-1,2,4-triazole-3-sulfonic acid Formula: C7H6N4O6S MolecularWeight: 274.21074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C7H6N4O6S/c1-10-6(8-9-7(10)18(14,15)16)4-2-3-5(17-4)11(12)13/h2-3H,1H3,(H,14,15,16)