EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H8N2O2S |
| Net Charge | 0 |
| Average Mass | 232.264 |
| Monoisotopic Mass | 232.03065 |
| SMILES | C#CCSC1=NNC(=C2C=CC(=O)C=C2)O1 |
| InChI | InChI=1S/C11H8N2O2S/c1-2-7-16-11-13-12-10(15-11)8-3-5-9(14)6-4-8/h1,3-6,12H,7H2 |
| InChIKey | YCWFKFZEPIOIRO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[5-(prop-2-ynylthio)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone (CHEBI:108535) is a quinomethanes (CHEBI:52404) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19909 | LINCS |