539811-39-7
N-(2,6-DIMETHYLPHENYL)-2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2,6-DIMETHYLPHENYL)-2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
1Identification
【Name】
N-(2,6-DIMETHYLPHENYL)-2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03765076
【English Synonyms】
【Formula】
C26 H26 N4 O S2
【MolWeight】
474.65
【Inchi】
InChI=1S/C26H26N4OS2/c1-18-9-7-12-21(15-18)30-23(16-32-22-13-5-4-6-14-22)28-29-26(30)33-17-24(31)27-25-19(2)10-8-11-20(25)3/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=VDRCWJBBBYLULM-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)n2c(nnc2SCC(=O)Nc3c(cccc3C)C)CSc4ccccc4
【MOL File】
N-(2,6-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,6-DIMETHYLPHENYL)-2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml