EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H8N2S |
| Net Charge | 0 |
| Average Mass | 212.277 |
| Monoisotopic Mass | 212.04082 |
| SMILES | N#CC(=Cc1cccnc1)c1cccs1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Manual Xrefs | Databases |
|---|---|
| 2104184 | ChemSpider |