CHEBI:108408 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)ethylideneamino]-4-triazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)ethylideneamino]-4-triazolecarboxamide
ChEBI ID CHEBI:108408
Stars This entity has been manually annotated by a third party.
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Formula C21H18N8O4
Net Charge 0
Average Mass 446.420
Monoisotopic Mass 446.14510
InChI InChI=1S/C21H18N8O4/c1-11-3-5-13(6-4-11)12(2)23-25-21(30)17-18(14-7-8-15-16(9-14)32-10-31-15)29(28-24-17)20-19(22)26-33-27-20/h3-9H,10H2,1-2H3,(H2,22,26)(H,25,30)
InChIKey HFKWHFDKOWJDRR-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)C
ChEBI Ontology
Outgoing 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)ethylideneamino]-4-triazolecarboxamide (CHEBI:108408) is a triazoles (CHEBI:35727)
Manual Xref Database
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