578748-19-3
2-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name2-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
2-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04024227
【English Synonyms】
【Formula】
C17 H18 N4 S
【MolWeight】
310.423
【Inchi】
InChI=1S/C17H18N4S/c1-3-21-16(15-6-4-5-11-18-15)19-20-17(21)22-12-14-9-7-13(2)8-10-14/h4-11H,3,12H2,1-2H3
【InChIKey】
InChIKey=WJVLMPBAYGZROF-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2ccc(cc2)C)c3ccccn3
【MOL File】
2-(4-ETHYL-5-((4-MET….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-(4-ETHYL-5-((4-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml