477318-71-1
N-(2,6-DICHLOROPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DICHLOROPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC22 H17 Cl2 N5 O S
1Identification
【Name】
N-(2,6-DICHLOROPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03224379
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H17 Cl2 N5 O S
【pro_molWeight】
470.382
【Inchi】
InChI=1S/C22H17Cl2N5OS/c1-14-5-7-16(8-6-14)29-21(15-9-11-25-12-10-15)27-28-22(29)31-13-19(30)26-20-17(23)3-2-4-18(20)24/h2-12H,13H2,1H3,(H,26,30)
【InChIKey】
InChIKey=ANJBYHZSWBYAQB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3c(cccc3Cl)Cl)c4ccncc4
【MOL File】
N-(2,6-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DICHLOROPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml