538336-67-3
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Name2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
pro_formulaC25 H24 N4 O S
1Identification
【Name】
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03461023
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H24 N4 O S
【pro_molWeight】
428.558
【Inchi】
InChI=1S/C25H24N4OS/c1-17-10-13-21(14-11-17)26-23(30)16-31-25-28-27-24(20-7-5-4-6-8-20)29(25)22-15-18(2)9-12-19(22)3/h4-15H,16H2,1-3H3,(H,26,30)
【InChIKey】
InChIKey=JPMRPEJPIGJDTE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2c3cc(ccc3C)C)c4ccccc4
【MOL File】
2-[[4-(2,5-DIMETHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE.cml