6-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)sulfanyl]-1,2,4-triazine-3,5-diolate

Systemtic Name: 6-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)sulfanyl]-1,2,4-triazine-3,5-diolate Openeye Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)sulfanyl]-1,2,4-triazine-3,5-diolate CAS Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)thio]-1,2,4-triazine-3,5-diolate IUPAC Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)sulfanyl]-1,2,4-triazine-3,5-diolate Traditional Name: 6-[(3-keto-5-methyl-3-pyrazolin-4-yl)thio]-1,2,4-triazine-3,5-diolate Formula: C7H5N5O3S-2 MolecularWeight: 239.2113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)SC2=C(N=C(N=N2)[O-])[O-]

Isomeric SMILES

CC1=C(C(=O)NN1)SC2=C(N=C(N=N2)[O-])[O-]

InChI

InChI=1S/C7H7N5O3S/c1-2-3(4(13)10-9-2)16-6-5(14)8-7(15)12-11-6/h1H3,(H2,9,10,13)(H2,8,12,14,15)/p-2