1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-tert-butyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-tert-butyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2,6-dibromo-4-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2,6-dibromo-4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(2,6-dibromo-4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2,6-dibromo-4-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H15Br2N3O2 MolecularWeight: 417.0958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N2C(=NC(=N2)C(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N2C(=NC(=N2)C(=O)O)C(C)(C)C)Br

InChI

InChI=1S/C14H15Br2N3O2/c1-7-5-8(15)10(9(16)6-7)19-13(14(2,3)4)17-11(18-19)12(20)21/h5-6H,1-4H3,(H,20,21)