578736-18-2
2-(5-(CINNAMYLTHIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name2-(5-(CINNAMYLTHIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
2-(5-(CINNAMYLTHIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04031808
【English Synonyms】
【Formula】
C18 H18 N4 S
【MolWeight】
322.434
【Inchi】
InChI=1S/C18H18N4S/c1-2-22-17(16-12-6-7-13-19-16)20-21-18(22)23-14-8-11-15-9-4-3-5-10-15/h3-13H,2,14H2,1H3/b11-8+
【InChIKey】
InChIKey=CZBVDZATWDYNOA-DHZHZOJOSA-N
【SMILES】
CCn1c(nnc1SC/C=C/c2ccccc2)c3ccccn3
【MOL File】
2-(5-(CINNAMYLTHIO)-….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-(CINNAMYLTHIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml