41249-76-7
ETHYL ((5,6-DIPHENYL-1,2,4-TRIAZIN-3-YL)THIO)ACETATE
NameETHYL ((5,6-DIPHENYL-1,2,4-TRIAZIN-3-YL)THIO)ACETATE
1Identification
【Name】
ETHYL ((5,6-DIPHENYL-1,2,4-TRIAZIN-3-YL)THIO)ACETATE
【CAS】
【MDL】
MFCD01624103
【English Synonyms】
【Formula】
C19 H17 N3 O2 S
【MolWeight】
351.428
【Inchi】
InChI=1S/C19H17N3O2S/c1-2-24-16(23)13-25-19-20-17(14-9-5-3-6-10-14)18(21-22-19)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
【InChIKey】
InChIKey=VCZXPVLGTNLHCV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1nc(c(nn1)c2ccccc2)c3ccccc3
【MOL File】
ETHYL ((5,6-DIPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL ((5,6-DIPHENYL-1,2,4-TRIAZIN-3-YL)THIO)ACETATE.cml