EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H11FN4O2S |
| Net Charge | 0 |
| Average Mass | 354.366 |
| Monoisotopic Mass | 354.05867 |
| SMILES | Fc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1 |
| InChI | InChI=1S/C17H11FN4O2S/c18-11-7-5-10(6-8-11)16-21-22-15(19-20-17(22)25-16)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2 |
| InChIKey | CCWFGRSYZMQDGC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:114658) is a benzodioxine (CHEBI:64096) |
| 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:114658) is a triazolothiadiazole (CHEBI:140920) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26120 | LINCS |