587001-66-9
2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-FLUOROPHENYL)ACETAMIDE
Name2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-FLUOROPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-FLUOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04032247
【English Synonyms】
【Formula】
C16 H15 F N4 O2 S
【MolWeight】
346.384
【Inchi】
InChI=1S/C16H15FN4O2S/c1-2-21-15(13-8-5-9-23-13)19-20-16(21)24-10-14(22)18-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,18,22)
【InChIKey】
InChIKey=MJWAXMAYAQBCKG-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccccc2F)c3ccco3
【MOL File】
2-((4-ETHYL-5-(2-FUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-FLUOROPHENYL)ACETAMIDE.cml