573948-00-2
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04021149
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 N4 S
【pro_molWeight】
324.45
【Inchi】
InChI=1S/C18H20N4S/c1-4-22-17(16-7-5-6-10-19-16)20-21-18(22)23-12-15-11-13(2)8-9-14(15)3/h5-11H,4,12H2,1-3H3
【InChIKey】
InChIKey=FPXHIMBZEZSTQY-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2cc(ccc2C)C)c3ccccn3
【MOL File】
2-(5-((2,5-DIMETHYLB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml