5-tert-butyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 5-tert-butyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-3-one Formula: C12H12Cl3N3O MolecularWeight: 320.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H12Cl3N3O/c1-12(2,3)10-16-11(19)18(17-10)9-7(14)4-6(13)5-8(9)15/h4-5H,1-3H3,(H,16,17,19)