585555-96-0
4-(3-((3-BROMOBENZYL)THIO)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)PH ETHYL ETHER
Name4-(3-((3-BROMOBENZYL)THIO)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)PH ETHYL ETHER
1Identification
【Name】
4-(3-((3-BROMOBENZYL)THIO)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)PH ETHYL ETHER
【CAS】
【MDL】
MFCD03474838
【English Synonyms】
【Formula】
C22 H19 Br N4 O S
【MolWeight】
467.389
【Inchi】
InChI=1S/C22H19BrN4OS/c1-2-28-20-10-8-19(9-11-20)27-21(17-6-4-12-24-14-17)25-26-22(27)29-15-16-5-3-7-18(23)13-16/h3-14H,2,15H2,1H3
【InChIKey】
InChIKey=VUCHSGHAFPOQKJ-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)n2c(nnc2SCc3cccc(c3)Br)c4cccnc4
【MOL File】
4-(3-((3-BROMOBENZYL….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
4-(3-((3-BROMOBENZYL)THIO)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)PH ETHYL ETHER.cml