CHEBI:114658 - 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

ChEBI IDCHEBI:114658
ChEBI Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Stars
Last Modified1 June 2018
DownloadsMolfile
FormulaC17H11FN4O2S
Net Charge0
Average Mass354.366
Monoisotopic Mass354.05867
SMILESFc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
InChIInChI=1S/C17H11FN4O2S/c18-11-7-5-10(6-8-11)16-21-22-15(19-20-17(22)25-16)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2
InChIKeyCCWFGRSYZMQDGC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:114658) is a benzodioxine (CHEBI:64096)
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:114658) is a triazolothiadiazole (CHEBI:140920)
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