477318-65-3
N-(3,5-DIMETHYLPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHYLPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC24 H23 N5 O S
1Identification
【Name】
N-(3,5-DIMETHYLPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03474313
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H23 N5 O S
【pro_molWeight】
429.546
【Inchi】
InChI=1S/C24H23N5OS/c1-16-4-6-21(7-5-16)29-23(19-8-10-25-11-9-19)27-28-24(29)31-15-22(30)26-20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,26,30)
【InChIKey】
InChIKey=FCLGQZNBSXSNHU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3cc(cc(c3)C)C)c4ccncc4
【MOL File】
N-(3,5-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3,5-DIMETHYLPHENYL)-2-[[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml