3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C15H10BrN3O2 MolecularWeight: 344.1628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H10BrN3O2/c16-12-4-6-13(7-5-12)19-9-17-14(18-19)10-2-1-3-11(8-10)15(20)21/h1-9H,(H,20,21)