Molecule ID: 53465279

IUPAC Name: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Description: The molecule is a member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. It has a role as a uricosuric drug. It is a member of triazoles, a member of naphthalenes, a member of cyclopropanes, an organobromine compound, an aryl sulfide and a monocarboxylic acid.

SMILES: O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][S][C][=N][N][=C][Branch1][C][Br][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1]

InChI: InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)

Molecular Properties:
- Polar Surface Area: 93.3 Ų
- LogP: 4.7