577787-21-4
2-(5-((2-CHLORO-6-FLUOROBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name2-(5-((2-CHLORO-6-FLUOROBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
2-(5-((2-CHLORO-6-FLUOROBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04026992
【English Synonyms】
【Formula】
C16 H14 Cl F N4 S
【MolWeight】
348.832
【Inchi】
InChI=1S/C16H14ClFN4S/c1-2-22-15(14-8-3-4-9-19-14)20-21-16(22)23-10-11-12(17)6-5-7-13(11)18/h3-9H,2,10H2,1H3
【InChIKey】
InChIKey=CIOMFRFRNUBKIG-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2c(cccc2Cl)F)c3ccccn3
【MOL File】
2-(5-((2-CHLORO-6-FL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-((2-CHLORO-6-FLUOROBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml