3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]benzoic acid Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(=O)O

InChI

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