EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H17NS |
| Net Charge | 0 |
| Average Mass | 231.364 |
| Monoisotopic Mass | 231.10817 |
| SMILES | S=C1NC2(CCCCC2)Cc2ccccc21 |
| InChI | InChI=1S/C14H17NS/c16-13-12-7-3-2-6-11(12)10-14(15-13)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16) |
| InChIKey | QYYVLDGAEAKTDX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione (CHEBI:113049) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24459 | LINCS |