538336-48-0
N-(2,3-DIMETHYLPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,3-DIMETHYLPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC26 H26 N4 O S
1Identification
【Name】
N-(2,3-DIMETHYLPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460980
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H26 N4 O S
【pro_molWeight】
442.584
【Inchi】
InChI=1S/C26H26N4OS/c1-17-13-14-19(3)23(15-17)30-25(21-10-6-5-7-11-21)28-29-26(30)32-16-24(31)27-22-12-8-9-18(2)20(22)4/h5-15H,16H2,1-4H3,(H,27,31)
【InChIKey】
InChIKey=ZUKSXUVIEBLACN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)Nc3cccc(c3C)C)c4ccccc4)C
【MOL File】
N-(2,3-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,3-DIMETHYLPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml