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

Systemtic Name: 6-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NNC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C13H11N5O3S/c1-7-9(22-11-10(19)14-13(21)16-15-11)12(20)18(17-7)8-5-3-2-4-6-8/h2-6,17H,1H3,(H2,14,16,19,21)