HIT ID: HIT219251437
Cas No:
分子式: C16H13IN4O4S2
分子量: 516.33
常用名: COX-2-IN-52
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[4-(4-iodophenyl)-5-(4-sulfamoylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
IUPAC: 2-{[4-(4-iodophenyl)-5-(4-sulfamoylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
SMILES: NS(=O)(=O)c1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1ccc(I)cc1
SMILES: NS(=O)(=O)c1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1ccc(I)cc1
InChI key: GHJOWMDSKSZWQR-UHFFFAOYSA-N