EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13N3O2S |
| Net Charge | 0 |
| Average Mass | 323.377 |
| Monoisotopic Mass | 323.07285 |
| SMILES | O=C1C=c2ccccc2=CC1=C1NNC(=S)N1Cc1ccco1 |
| InChI | InChI=1S/C17H13N3O2S/c21-15-9-12-5-2-1-4-11(12)8-14(15)16-18-19-17(23)20(16)10-13-6-3-7-22-13/h1-9,18H,10H2,(H,19,23) |
| InChIKey | WDIOBSJNOGRWCQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[4-(2-furanylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-2-naphthalenone (CHEBI:114445) is a quinomethanes (CHEBI:52404) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25906 | LINCS |