538336-40-2
N-BENZYL-2-[[5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-BENZYL-2-[[5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC24 H20 Cl2 N4 O S
1Identification
【Name】
N-BENZYL-2-[[5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460919
【English Synonyms】
【Formula】
C24 H20 Cl2 N4 O S
【MolWeight】
483.421
【Inchi】
InChI=1S/C24H20Cl2N4OS/c1-16-7-5-6-10-21(16)30-23(19-12-11-18(25)13-20(19)26)28-29-24(30)32-15-22(31)27-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,27,31)
【InChIKey】
InChIKey=BESSNXIYPNPCAU-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1n2c(nnc2SCC(=O)NCc3ccccc3)c4ccc(cc4Cl)Cl
【MOL File】
N-BENZYL-2-[[5-(2,4-….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-BENZYL-2-[[5-(2,4-DICHLOROPHENYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml