538336-45-7
2-((4-(2,5-DIMETHYLPHENYL)-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
Name2-((4-(2,5-DIMETHYLPHENYL)-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
1Identification
【Name】
2-((4-(2,5-DIMETHYLPHENYL)-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
【CAS】
【MDL】
MFCD03460977
【English Synonyms】
【Formula】
C27 H28 N4 O S
【MolWeight】
456.611
【Inchi】
InChI=1S/C27H28N4OS/c1-17-11-12-19(3)23(15-17)31-26(22-9-7-6-8-10-22)29-30-27(31)33-16-24(32)28-25-20(4)13-18(2)14-21(25)5/h6-15H,16H2,1-5H3,(H,28,32)
【InChIKey】
InChIKey=SPRBZHVSEGUOKH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)Nc3c(cc(cc3C)C)C)c4ccccc4)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-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE.cml