482640-04-0
4-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name4-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
4-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD02227117
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H18 N4 S
【pro_molWeight】
310.423
【Inchi】
InChI=1S/C17H18N4S/c1-3-21-16(15-8-10-18-11-9-15)19-20-17(21)22-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
【InChIKey】
InChIKey=APUOSMIWAIFJBP-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2ccc(cc2)C)c3ccncc3
【MOL File】
4-(4-ETHYL-5-((4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml