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

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ChEBI Name 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
ChEBI ID CHEBI:114658
Stars This entity has been manually annotated by a third party.
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Formula C17H11FN4O2S
Net Charge 0
Average Mass 354.360
Monoisotopic Mass 354.05867
InChI InChI=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
InChIKey CCWFGRSYZMQDGC-UHFFFAOYSA-N
SMILES C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=C(C=C5)F
ChEBI Ontology
Outgoing 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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Last Modified
01 June 2018