538336-51-5
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
Name2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
1Identification
【Name】
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460983
【English Synonyms】
【Formula】
C28 H24 N4 O S
【MolWeight】
464.591
【Inchi】
InChI=1S/C28H24N4OS/c1-19-15-16-20(2)25(17-19)32-27(22-10-4-3-5-11-22)30-31-28(32)34-18-26(33)29-24-14-8-12-21-9-6-7-13-23(21)24/h3-17H,18H2,1-2H3,(H,29,33)
【InChIKey】
InChIKey=MJXYBARTWORNQC-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)Nc3cccc4c3cccc4)c5ccccc5)C
【MOL File】
2-[[4-(2,5-DIMETHYLP….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
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE.cml