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

Systemtic Name: 1-(4-bromophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrN3O2/c1-7(2)11-14-10(12(17)18)15-16(11)9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,17,18)