EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17N3S |
| Net Charge | 0 |
| Average Mass | 235.356 |
| Monoisotopic Mass | 235.11432 |
| SMILES | CCN1CNC(=S)N(Cc2ccccc2)C1 |
| InChI | InChI=1S/C12H17N3S/c1-2-14-9-13-12(16)15(10-14)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,16) |
| InChIKey | CEOWFRFECJRZCP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione (CHEBI:116921) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28371 | LINCS |