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

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H13Br2N3O2 MolecularWeight: 403.06922

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H13Br2N3O2/c1-6(2)12-16-11(13(19)20)17-18(12)10-8(14)4-7(3)5-9(10)15/h4-6H,1-3H3,(H,19,20)