565466-73-1
3-(5-((3,4-DICHLOROBENZYL)THIO)-4-(4-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name3-(5-((3,4-DICHLOROBENZYL)THIO)-4-(4-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
FormulaC22 H18 Cl2 N4 O S
1Identification
【Name】
3-(5-((3,4-DICHLOROBENZYL)THIO)-4-(4-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD03474789
【English Synonyms】
【Formula】
C22 H18 Cl2 N4 O S
【MolWeight】
457.383
【Inchi】
InChI=1S/C22H18Cl2N4OS/c1-2-29-18-8-6-17(7-9-18)28-21(16-4-3-11-25-13-16)26-27-22(28)30-14-15-5-10-19(23)20(24)12-15/h3-13H,2,14H2,1H3
【InChIKey】
InChIKey=HDLXGFXOPWQUEA-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(nnc2SCc3ccc(c(c3)Cl)Cl)c4cccnc4
【MOL File】
3-(5-((3,4-DICHLOROB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-((3,4-DICHLOROBENZYL)THIO)-4-(4-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml