6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O2S/c1-3-5(4(2)11-10-3)16-7-6(14)9-8(15)13-12-7/h1-2H3,(H,10,11)(H2,9,13,14,15)