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

Systemtic Name: 6-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-6H-1,2,4-triazine-3,5-dione Openeye Name: 6-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-6H-1,2,4-triazine-3,5-dione CAS Name: 6-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-6H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-6H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-6H-1,2,4-triazine-3,5-quinone Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3C(=O)NC(=O)N=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3C(=O)NC(=O)N=N3

InChI

InChI=1S/C14H13N5O2S/c1-8-11(22-13-12(20)15-14(21)17-16-13)9(2)19(18-8)10-6-4-3-5-7-10/h3-7,13H,1-2H3,(H,15,20,21)