538336-50-4
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC24 H20 Cl2 N4 O S
1Identification
【Name】
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460982
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H20 Cl2 N4 O S
【pro_molWeight】
483.421
【Inchi】
InChI=1S/C24H20Cl2N4OS/c1-15-11-12-16(2)20(13-15)30-23(17-7-4-3-5-8-17)28-29-24(30)32-14-21(31)27-22-18(25)9-6-10-19(22)26/h3-13H,14H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=ADIQYLNMCPYDSZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)Nc3c(cccc3Cl)Cl)c4ccccc4)C
【MOL File】
N-(2,6-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml