EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H5F3N2O2S |
| Net Charge | 0 |
| Average Mass | 298.245 |
| Monoisotopic Mass | 298.00238 |
| SMILES | O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccco1 |
| InChI | InChI=1S/C12H5F3N2O2S/c13-5-4-7-10(9(15)8(5)14)16-12(20-7)17-11(18)6-2-1-3-19-6/h1-4H,(H,16,17,18) |
| InChIKey | ZKQCCNKYYIXCEG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide (CHEBI:112933) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24343 | LINCS |