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

Systemtic Name: 6-[[2-(2,4-dinitrophenyl)-3-methyl-5-oxidanylidene-1H-pyrazol-4-yl]methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[[2-(2,4-dinitrophenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methylsulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(2,4-dinitrophenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methylthio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[[2-(2,4-dinitrophenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[1-(2,4-dinitrophenyl)-3-keto-5-methyl-3-pyrazolin-4-yl]methylthio]-2H-1,2,4-triazine-3,5-quinone Formula: C14H11N7O7S MolecularWeight: 421.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CSC3=NNC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=O)NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CSC3=NNC(=O)NC3=O

InChI

InChI=1S/C14H11N7O7S/c1-6-8(5-29-13-12(23)15-14(24)17-16-13)11(22)18-19(6)9-3-2-7(20(25)26)4-10(9)21(27)28/h2-4H,5H2,1H3,(H,18,22)(H2,15,17,23,24)