1-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(p-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(p-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H12BrN3O2/c1-10-2-4-11(5-3-10)15-18-14(16(21)22)19-20(15)13-8-6-12(17)7-9-13/h2-9H,1H3,(H,21,22)