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

Systemtic Name: 6-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(3-keto-5-methyl-3-pyrazolin-4-yl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C7H7N5O3S MolecularWeight: 241.22718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)SC2=NNC(=O)NC2=O

Isomeric SMILES

CC1=C(C(=O)NN1)SC2=NNC(=O)NC2=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)