EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19FN2O3S2 |
| Net Charge | 0 |
| Average Mass | 394.493 |
| Monoisotopic Mass | 394.08211 |
| SMILES | CCN(CC)S(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1 |
| InChI | InChI=1S/C18H19FN2O3S2/c1-3-21(4-2)26(22,23)15-9-10-17-16(11-15)20-18(24-17)25-12-13-5-7-14(19)8-6-13/h5-11H,3-4,12H2,1-2H3 |
| InChIKey | NDZYDBLDEGHKTQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide (CHEBI:112352) is a benzoxazole (CHEBI:46700) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23764 | LINCS |