EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H11N3O3S |
| Net Charge | 0 |
| Average Mass | 301.327 |
| Monoisotopic Mass | 301.05211 |
| SMILES | Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2nsnc2c1 |
| InChI | InChI=1S/C14H11N3O3S/c1-7-5-12(18)20-8(2)13(7)14(19)15-9-3-4-10-11(6-9)17-21-16-10/h3-6H,1-2H3,(H,15,19) |
| InChIKey | CEKUCPDPBKGULU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,1,3-benzothiadiazol-5-yl)-2,4-dimethyl-6-oxo-3-pyrancarboxamide (CHEBI:105894) is a benzothiadiazole (CHEBI:48864) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17255 | LINCS |