EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17NOS2 |
| Net Charge | 0 |
| Average Mass | 315.463 |
| Monoisotopic Mass | 315.07516 |
| SMILES | O=c1nc2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2 |
| InChI | InChI=1S/C17H17NOS2/c19-17-18-16-15(21-17)12(9-4-2-1-3-5-9)13-10-6-7-11(8-10)14(13)20-16/h1-5,10-14H,6-8H2,(H,18,19) |
| InChIKey | KPJXVODWPNPRQB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16579 (CHEBI:105216) is a monoterpenoid (CHEBI:25409) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16579 | LINCS |