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CHEBI:228689 - 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercaptonicotinonitrile

ChEBI IDCHEBI:228689
ChEBI Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercaptonicotinonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H10N2O2S
Net Charge0
Average Mass270.313
Monoisotopic Mass270.04630
SMILESN#Cc1ccc(-c2ccc3c(c2)OCCO3)nc1=S
InChIInChI=1S/C14H10N2O2S/c15-8-10-1-3-11(16-14(10)19)9-2-4-12-13(7-9)18-6-5-17-12/h1-4,7H,5-6H2,(H,16,19)
InChIKeyXYVAXXPIRIBEMB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercaptonicotinonitrile (CHEBI:228689) is a benzodioxine (CHEBI:64096)
IUPAC Name 
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulanylidene-1H-pyridine-3-carbonitrile
Manual XrefsDatabases
2085944ChemSpider