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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile

ChEBI ID	CHEBI:228742

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C14H12N2OS

Net Charge

Average Mass

256.320

Monoisotopic Mass

256.06703

InChI

InChI=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

InChIKey

LSSUNRGUYUVYQE-UHFFFAOYSA-N

SMILES

S1C(C(=O)C(=CC=2NC(=CC2C)C)C#N)=CC=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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