539808-53-2
N-(2,6-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-(2,6-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
pro_formulaC26 H26 N4 O S2
1Identification
【Name】
N-(2,6-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460671
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H26 N4 O S2
【pro_molWeight】
474.65
【Inchi】
InChI=1S/C26H26N4OS2/c1-18-12-14-22(15-13-18)32-16-23-28-29-26(30(23)21-10-5-4-6-11-21)33-17-24(31)27-25-19(2)8-7-9-20(25)3/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=FSQLFGCPDTTYDV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3ccccc3)SCC(=O)Nc4c(cccc4C)C
【MOL File】
N-(2,6-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml