EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17N3O2S |
| Net Charge | 0 |
| Average Mass | 351.431 |
| Monoisotopic Mass | 351.10415 |
| SMILES | Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 |
| InChI | InChI=1S/C19H17N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h3-8H,10-11H2,1-2H3,(H,21,23) |
| InChIKey | GLKWLQVECQPEBT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamide (CHEBI:121565) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33008 | LINCS |