EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105709 - 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
| Formula | C17H14N2OS |
| Net Charge | 0 |
| Average Mass | 294.379 |
| Monoisotopic Mass | 294.08268 |
| SMILES | Cc1ccccc1C(CC(=O)c1cccs1)C(C#N)C#N |
| InChI | InChI=1S/C17H14N2OS/c1-12-5-2-3-6-14(12)15(13(10-18)11-19)9-16(20)17-7-4-8-21-17/h2-8,13,15H,9H2,1H3 |
| InChIKey | NEEVBWZTPVZUSU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile (CHEBI:105709) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17071 | LINCS |