539808-96-3
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DICHLOROPHENYL)-2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC25 H22 Cl2 N4 O2 S
1Identification
【Name】
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460714
【English Synonyms】
【Formula】
C25 H22 Cl2 N4 O2 S
【MolWeight】
513.447
【Inchi】
InChI=1S/C25H22Cl2N4O2S/c1-16-11-12-21(17(2)13-16)31-22(14-33-18-7-4-3-5-8-18)29-30-25(31)34-15-23(32)28-24-19(26)9-6-10-20(24)27/h3-13H,14-15H2,1-2H3,(H,28,32)
【InChIKey】
InChIKey=BNCPJABWRADYCW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)n2c(nnc2SCC(=O)Nc3c(cccc3Cl)Cl)COc4ccccc4
【MOL File】
N-(2,6-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,6-DICHLOROPHENYL)-2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml