538337-94-9
2-((4-BENZYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE
Name2-((4-BENZYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE
1Identification
【Name】
2-((4-BENZYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE
【CAS】
【MDL】
MFCD05154852
【English Synonyms】
【Formula】
C24 H21 N3 O2 S
【MolWeight】
415.515
【Inchi】
InChI=1S/C24H21N3O2S/c28-22(20-12-6-2-7-13-20)18-30-24-26-25-23(17-29-21-14-8-3-9-15-21)27(24)16-19-10-4-1-5-11-19/h1-15H,16-18H2
【InChIKey】
InChIKey=LNVYJRPBVSRABM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c(nnc2SCC(=O)c3ccccc3)COc4ccccc4
【MOL File】
2-((4-BENZYL-5-(PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-BENZYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE.cml