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

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C11H9Br2N3O2 MolecularWeight: 375.01606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9Br2N3O2/c1-5-3-7(12)9(8(13)4-5)16-6(2)14-10(15-16)11(17)18/h3-4H,1-2H3,(H,17,18)