EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H16F3N3O2S |
| Net Charge | 0 |
| Average Mass | 383.395 |
| Monoisotopic Mass | 383.09153 |
| SMILES | CCN(CC)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N |
| InChI | InChI=1S/C17H16F3N3O2S/c1-3-23(4-2)15(24)10-26-16-11(9-21)12(17(18,19)20)8-13(22-16)14-6-5-7-25-14/h5-8H,3-4,10H2,1-2H3 |
| InChIKey | ILECOIDDBKYPMO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide (CHEBI:112420) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23832 | LINCS |