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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NNC1=O)CSC2=NNC(=O)NC2=O

Isomeric SMILES

C1=C(NNC1=O)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C7H7N5O3S/c13-4-1-3(9-10-4)2-16-6-5(14)8-7(15)12-11-6/h1H,2H2,(H2,9,10,13)(H2,8,12,14,15)