EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H15N3O3S |
| Net Charge | 0 |
| Average Mass | 341.392 |
| Monoisotopic Mass | 341.08341 |
| SMILES | O=C(CSc1nc2ccccc2n1)Nc1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C17H15N3O3S/c21-16(10-24-17-19-12-3-1-2-4-13(12)20-17)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20) |
| InChIKey | JKBYSPZCJCSSQW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1H-benzimidazol-2-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CHEBI:119815) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31259 | LINCS |