111290-75-6
4-(4-ETHOXY-PHENYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
Name4-(4-ETHOXY-PHENYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
4-(4-ETHOXY-PHENYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD02168495
【English Synonyms】
【Formula】
C15 H14 N4 O S
【MolWeight】
298.369
【Inchi】
InChI=1S/C15H14N4OS/c1-2-20-13-5-3-12(4-6-13)19-14(17-18-15(19)21)11-7-9-16-10-8-11/h3-10H,2H2,1H3,(H,18,21)
【InChIKey】
InChIKey=YYWAKFQLMGBLIJ-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(nnc2S)c3ccncc3
【MOL File】
4-(4-ETHOXY-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-ETHOXY-PHENYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL.cml