EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N2OS |
| Net Charge | 0 |
| Average Mass | 232.308 |
| Monoisotopic Mass | 232.06703 |
| SMILES | CC(=O)c1ccc(Cc2cnc(N)s2)cc1 |
| InChI | InChI=1S/C12H12N2OS/c1-8(15)10-4-2-9(3-5-10)6-11-7-14-12(13)16-11/h2-5,7H,6H2,1H3,(H2,13,14) |
| InChIKey | QILUUSGYHLELNJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone (CHEBI:120909) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32352 | LINCS |