EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17N3O2S |
| Net Charge | 0 |
| Average Mass | 303.387 |
| Monoisotopic Mass | 303.10415 |
| SMILES | O=C(CSc1ccc(-c2ccco2)nn1)N1CCCCC1 |
| InChI | InChI=1S/C15H17N3O2S/c19-15(18-8-2-1-3-9-18)11-21-14-7-6-12(16-17-14)13-5-4-10-20-13/h4-7,10H,1-3,8-9,11H2 |
| InChIKey | TXYIUQYOJRGGRI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[6-(2-furanyl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone (CHEBI:109150) is a N-acylpiperidine (CHEBI:48591) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20547 | LINCS |