CHEBI:115119 - 3-tert-butyl-7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

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ChEBI Name 3-tert-butyl-7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
ChEBI ID CHEBI:115119
Stars This entity has been manually annotated by a third party.
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Formula C18H18N4O4S2
Net Charge 0
Average Mass 418.493
Monoisotopic Mass 418.07695
InChI InChI=1S/C18H18N4O4S2/c1-18(2,3)14-15(24)22-16(20-19-14)28-17(21-22)27-9-11(23)10-4-5-12-13(8-10)26-7-6-25-12/h4-5,8H,6-7,9H2,1-3H3
InChIKey GBODLDMNXWLBRB-UHFFFAOYSA-N
SMILES CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC4=C(C=C3)OCCO4
ChEBI Ontology
Outgoing 3-tert-butyl-7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CHEBI:115119) is a benzodioxine (CHEBI:64096)
Manual Xref Database
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