538336-55-9
N-BENZYL-2-((4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-BENZYL-2-((4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-BENZYL-2-((4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD03460986
【English Synonyms】
【Formula】
C24 H22 N4 O S
【MolWeight】
414.531
【Inchi】
InChI=1S/C24H22N4OS/c1-18-9-8-14-21(15-18)28-23(20-12-6-3-7-13-20)26-27-24(28)30-17-22(29)25-16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,25,29)
【InChIKey】
InChIKey=LKPKPPWBMFKCKK-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)n2c(nnc2SCC(=O)NCc3ccccc3)c4ccccc4
【MOL File】
N-BENZYL-2-((4-(3-ME….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-((4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml