5-bromanyl-2-(3-propan-2-yl-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-propan-2-yl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 5-bromo-2-(3-isopropyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 5-bromo-2-(3-propan-2-yl-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 5-bromo-2-(3-propan-2-yl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 5-bromo-2-(3-isopropyl-1,2,4-triazol-4-yl)benzoic acid Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)C1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

InChI

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