EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N2OS2 |
| Net Charge | 0 |
| Average Mass | 384.570 |
| Monoisotopic Mass | 384.13301 |
| SMILES | CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc2c1CCCC2 |
| InChI | InChI=1S/C21H24N2OS2/c1-3-23(4-2)21-16-9-6-5-8-15(16)12-20(17(21)13-22)26-14-18(24)19-10-7-11-25-19/h7,10-12H,3-6,8-9,14H2,1-2H3 |
| InChIKey | OWUGRTFMDNGWSS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CHEBI:94280) is a tetralins (CHEBI:36786) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4907 | LINCS |