EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H20N4O2S |
| Net Charge | 0 |
| Average Mass | 452.539 |
| Monoisotopic Mass | 452.13070 |
| SMILES | O=C(CSC1=NNC(=C2C=Nc3ccccc32)O1)N1c2ccccc2CCc2ccccc21 |
| InChI | InChI=1S/C26H20N4O2S/c31-24(30-22-11-5-1-7-17(22)13-14-18-8-2-6-12-23(18)30)16-33-26-29-28-25(32-26)20-15-27-21-10-4-3-9-19(20)21/h1-12,15,28H,13-14,16H2 |
| InChIKey | KEAKOLSAIBTFCB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone (CHEBI:112235) is a dibenzoazepine (CHEBI:47804) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23647 | LINCS |