538336-56-0
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXYPHENYL)ACETAMIDE
Name2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460987
【English Synonyms】
【Formula】
C26 H26 N4 O2 S
【MolWeight】
458.583
【Inchi】
InChI=1S/C26H26N4O2S/c1-4-32-22-14-12-21(13-15-22)27-24(31)17-33-26-29-28-25(20-8-6-5-7-9-20)30(26)23-16-18(2)10-11-19(23)3/h5-16H,4,17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=WVUODVXLJGATJV-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)NC(=O)CSc2nnc(n2c3cc(ccc3C)C)c4ccccc4
【MOL File】
2-[[4-(2,5-DIMETHYLP….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
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXYPHENYL)ACETAMIDE.cml