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CHEBI:190544 - 5-[5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole

ChEBI IDCHEBI:190544
ChEBI Name5-[5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12N4O2S
Net Charge0
Average Mass324.365
Monoisotopic Mass324.06810
SMILESCOc1cccc(Cc2nnc(-c3ccc4nsnc4c3)o2)c1
InChIInChI=1S/C16H12N4O2S/c1-21-12-4-2-3-10(7-12)8-15-17-18-16(22-15)11-5-6-13-14(9-11)20-23-19-13/h2-7,9H,8H2,1H3
InChIKeyJCGBTPHESZYTFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
5-[5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole (CHEBI:190544) is a benzothiadiazole (CHEBI:48864)
IUPAC Name 
2-(2,1,3-benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
Manual XrefsDatabases
2094112ChemSpider