CHEBI:107039 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]-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-[(2-chloro-6-fluorophenyl)methylideneamino]-4-triazolecarboxamide
ChEBI ID CHEBI:107039
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H12ClFN8O4
Net Charge 0
Average Mass 470.802
Monoisotopic Mass 470.06541
InChI InChI=1S/C19H12ClFN8O4/c20-11-2-1-3-12(21)10(11)7-23-25-19(30)15-16(9-4-5-13-14(6-9)32-8-31-13)29(28-24-15)18-17(22)26-33-27-18/h1-7H,8H2,(H2,22,26)(H,25,30)
InChIKey BRRJCHWLSWDNKN-UHFFFAOYSA-N
SMILES C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=C(C=CC=C5Cl)F
ChEBI Ontology
Outgoing 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-triazolecarboxamide (CHEBI:107039) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-18393 LINCS
View more database links