2-azanyl-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4,5-dione

Systemtic Name: 2-azanyl-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4,5-dione Openeye Name: 2-amino-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4,5-dione CAS Name: 2-amino-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4,5-dione IUPAC Name: 2-amino-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4,5-dione Traditional Name: 2-amino-1-[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-imidazoline-4,5-quinone Formula: C12H7F3N6O2 MolecularWeight: 324.21819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)N3C(=O)C(=O)N=C3N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)N3C(=O)C(=O)N=C3N

InChI

InChI=1S/C12H7F3N6O2/c13-12(14,15)9-18-11(20-8(23)7(22)17-10(20)16)21(19-9)6-4-2-1-3-5-6/h1-5H,(H2,16,17,22)