577696-07-2
3-(4-ETHYL-5-((3-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name3-(4-ETHYL-5-((3-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
3-(4-ETHYL-5-((3-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04027600
【English Synonyms】
【Formula】
C17 H18 N4 S
【MolWeight】
310.423
【Inchi】
InChI=1S/C17H18N4S/c1-3-21-16(15-8-5-9-18-11-15)19-20-17(21)22-12-14-7-4-6-13(2)10-14/h4-11H,3,12H2,1-2H3
【InChIKey】
InChIKey=AZQZOVKXUOYNAZ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2cccc(c2)C)c3cccnc3
【MOL File】
3-(4-ETHYL-5-((3-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
3-(4-ETHYL-5-((3-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml