EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13N3OS2 |
| Net Charge | 0 |
| Average Mass | 339.445 |
| Monoisotopic Mass | 339.05000 |
| SMILES | O=C(NC1=NCCS1)c1cc(-c2cccs2)nc2ccccc12 |
| InChI | InChI=1S/C17H13N3OS2/c21-16(20-17-18-7-9-23-17)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-6,8,10H,7,9H2,(H,18,20,21) |
| InChIKey | ZFRKOHPNQZAMPX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide (CHEBI:105924) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17285 | LINCS |