EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H10N4OS |
| Net Charge | 0 |
| Average Mass | 270.317 |
| Monoisotopic Mass | 270.05753 |
| SMILES | C=CCSc1nnc2c(n1)OC=Nc1ccccc1-2 |
| InChI | InChI=1S/C13H10N4OS/c1-2-7-19-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-8-18-12/h2-6,8H,1,7H2 |
| InChIKey | TWOXIZRBEBZPRL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(prop-2-enylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CHEBI:104958) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16321 | LINCS |