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

Systemtic Name: 1-(3-bromophenyl)-5-(4-methylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(p-tolyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-(4-methylphenyl)-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-(4-methylphenyl)triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-(p-tolyl)triazole-4-carboxylate Formula: C16H11BrN3O2- MolecularWeight: 357.18144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC=C3)Br)C(=O)[O-]

InChI

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