538337-70-1
2-[[5-[(2,4-DICHLOROPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
Name2-[[5-[(2,4-DICHLOROPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
pro_formulaC26 H24 Cl2 N4 O2 S
1Identification
【Name】
2-[[5-[(2,4-DICHLOROPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03459371
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H24 Cl2 N4 O2 S
【pro_molWeight】
527.474
【Inchi】
InChI=1S/C26H24Cl2N4O2S/c1-16-8-9-17(2)21(12-16)29-25(33)15-35-26-31-30-24(32(26)22-7-5-4-6-18(22)3)14-34-23-11-10-19(27)13-20(23)28/h4-13H,14-15H2,1-3H3,(H,29,33)
【InChIKey】
InChIKey=XPFUFPRNJLMYMH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)NC(=O)CSc2nnc(n2c3ccccc3C)COc4ccc(cc4Cl)Cl)C
【MOL File】
2-[[5-[(2,4-DICHLORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[5-[(2,4-DICHLOROPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE.cml