573709-26-9
5-(4-FLUOROPHENYL)-4-((4-PROPOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(4-FLUOROPHENYL)-4-((4-PROPOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(4-FLUOROPHENYL)-4-((4-PROPOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04018369
【English Synonyms】
【Formula】
C18 H17 F N4 O S
【MolWeight】
356.423
【Inchi】
InChI=1S/C18H17FN4OS/c1-2-11-24-16-9-3-13(4-10-16)12-20-23-17(21-22-18(23)25)14-5-7-15(19)8-6-14/h3-10,12H,2,11H2,1H3,(H,22,25)/b20-12+
【InChIKey】
InChIKey=OLKVYMIQANLRGH-UDWIEESQSA-N
【SMILES】
CCCOc1ccc(cc1)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
5-(4-FLUOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-FLUOROPHENYL)-4-((4-PROPOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml