3-(3-pyridyl)-2-(2-thienyl)acrylonitrile (CHEBI:228535)

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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-pyridyl)-2-(2-thienyl)acrylonitrile

ChEBI ID	CHEBI:228535

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H8N2S

Net Charge

Average Mass

212.270

Monoisotopic Mass

212.04082

InChI

InChI=1S/C12H8N2S/c13-8-11(12-4-2-6-15-12)7-10-3-1-5-14-9-10/h1-7,9H

InChIKey

DGMSKRCMDSDQKR-UHFFFAOYSA-N

SMILES

S1C(C(=CC=2C=CC=NC2)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-pyridyl)-2-(2-thienyl)acrylonitrile (CHEBI:228535) is a pyridines (CHEBI:26421)

IUPAC Name

3-pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile