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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

ChEBI IDCHEBI:115119
ChEBI Name3-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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DownloadsMolfile
FormulaC18H18N4O4S2
Net Charge0
Average Mass418.500
Monoisotopic Mass418.07695
SMILESCC(C)(C)c1nnc2sc(SCC(=O)c3ccc4c(c3)OCCO4)nn2c1=O
InChIInChI=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
InChIKeyGBODLDMNXWLBRB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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