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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3Br)C(=O)O

InChI

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