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CHEBI:190072 - 1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-

ChEBI IDCHEBI:190072
ChEBI Name1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15F2N3O5S
Net Charge0
Average Mass399.375
Monoisotopic Mass399.07005
SMILESCOc1ccnc(CS(=O)(=O)c2nc3ccc(OC(F)F)cc3n2)c1OC
InChIInChI=1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKeyFCJYMBZQIJDMMM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]- (CHEBI:190072) is a benzimidazoles (CHEBI:22715)
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]- (CHEBI:190072) is a sulfoxide (CHEBI:22063)
IUPAC Name 
6-(diluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulonyl]-1H-benzimidazole
Manual XrefsDatabases
169534ChemSpider
Registry NumbersSources
CAS:127780-16-9ChemIDplus