538336-54-8
N-(2,5-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,5-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC24 H20 Cl2 N4 O S
1Identification
【Name】
N-(2,5-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460985
【English Synonyms】
【Formula】
C24 H20 Cl2 N4 O S
【MolWeight】
483.421
【Inchi】
InChI=1S/C24H20Cl2N4OS/c1-15-8-9-16(2)21(12-15)30-23(17-6-4-3-5-7-17)28-29-24(30)32-14-22(31)27-20-13-18(25)10-11-19(20)26/h3-13H,14H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=GIMQFLZIUNOEDS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)Nc3cc(ccc3Cl)Cl)c4ccccc4)C
【MOL File】
N-(2,5-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,5-DICHLOROPHENYL)-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml