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

Systemtic Name: 1-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(m-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(m-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=CC(=C1)C2=NC(=NN2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

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

InChI

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