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

Systemtic Name: 6-[1-(2,4-dinitrophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[1-(2,4-dinitrophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[1-(2,4-dinitrophenyl)-3,5-dimethyl-4-pyrazolyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[1-(2,4-dinitrophenyl)-3,5-dimethylpyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[1-(2,4-dinitrophenyl)-3,5-dimethyl-pyrazol-4-yl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C14H11N7O6S MolecularWeight: 405.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)SC3=NNC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C14H11N7O6S/c1-6-11(28-13-12(22)15-14(23)17-16-13)7(2)19(18-6)9-4-3-8(20(24)25)5-10(9)21(26)27/h3-5H,1-2H3,(H2,15,17,22,23)