EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H11N3O2S |
| Net Charge | 0 |
| Average Mass | 261.306 |
| Monoisotopic Mass | 261.05720 |
| SMILES | N#Cc1nc(-c2cccs2)oc1N1CCOCC1 |
| InChI | InChI=1S/C12H11N3O2S/c13-8-9-12(15-3-5-16-6-4-15)17-11(14-9)10-2-1-7-18-10/h1-2,7H,3-6H2 |
| InChIKey | XAGWXZRVFOZLMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile (CHEBI:123238) is a oxazole (CHEBI:35790) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34680 | LINCS |