539808-43-0
N-(2,5-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-(2,5-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,5-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460651
【English Synonyms】
【Formula】
C26 H26 N4 O S2
【MolWeight】
474.65
【Inchi】
InChI=1S/C26H26N4OS2/c1-18-10-13-22(14-11-18)32-16-24-28-29-26(30(24)21-7-5-4-6-8-21)33-17-25(31)27-23-15-19(2)9-12-20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=MMUXNIHOZRUTEA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3ccccc3)SCC(=O)Nc4cc(ccc4C)C
【MOL File】
N-(2,5-DIMETHYLPHENY….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
N-(2,5-DIMETHYLPHENYL)-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml