476483-89-3
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(4-BROMO-2-METHYLPHENYL)-2-[[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC22 H17 Br Cl N5 O S
1Identification
【Name】
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03473396
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H17 Br Cl N5 O S
【pro_molWeight】
514.833
【Inchi】
InChI=1S/C22H17BrClN5OS/c1-14-12-16(23)2-7-19(14)26-20(30)13-31-22-28-27-21(15-8-10-25-11-9-15)29(22)18-5-3-17(24)4-6-18/h2-12H,13H2,1H3,(H,26,30)
【InChIKey】
InChIKey=CHVXWLLAEPBLOM-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)c4ccncc4)Br
【MOL File】
N-(4-BROMO-2-METHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml