EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13N3O2S |
| Net Charge | 0 |
| Average Mass | 335.388 |
| Monoisotopic Mass | 335.07285 |
| SMILES | Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 |
| InChI | InChI=1S/C18H13N3O2S/c19-12-5-7-13(8-6-12)20-18-21-15(10-24-18)14-9-11-3-1-2-4-16(11)23-17(14)22/h1-10H,19H2,(H,20,21) |
| InChIKey | SUUGUKZPDTXTBW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[2-(4-aminoanilino)-4-thiazolyl]-1-benzopyran-2-one (CHEBI:115714) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27171 | LINCS |