EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N3O2S |
| Net Charge | 0 |
| Average Mass | 341.436 |
| Monoisotopic Mass | 341.11980 |
| SMILES | Cc1cccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc12 |
| InChI | InChI=1S/C18H19N3O2S/c1-12-4-2-5-13-8-14(9-19)18(21-17(12)13)24-11-16(22)20-10-15-6-3-7-23-15/h2,4-5,8,15H,3,6-7,10-11H2,1H3,(H,20,22) |
| InChIKey | HKLLGDGHTQAYBR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide (CHEBI:109222) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20619 | LINCS |