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CHEBI:228742 - 3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile

ChEBI IDCHEBI:228742
ChEBI Name3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12N2OS
Net Charge0
Average Mass256.330
Monoisotopic Mass256.06703
SMILESCc1cc(C)c(C=C(C#N)C(=O)c2cccs2)n1
InChIInChI=1S/C14H12N2OS/c1-9-6-10(2)16-12(9)7-11(8-15)14(17)13-4-3-5-18-13/h3-7,16H,1-2H3
InChIKeyLSSUNRGUYUVYQE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile (CHEBI:228742) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
Manual XrefsDatabases
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