EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22N4O5S |
| Net Charge | 0 |
| Average Mass | 478.530 |
| Monoisotopic Mass | 478.13109 |
| SMILES | O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C24H22N4O5S/c29-23(25-17-8-9-20-21(13-17)32-12-11-31-20)16-34-24-27-26-22(15-33-18-5-2-1-3-6-18)28(24)14-19-7-4-10-30-19/h1-10,13H,11-12,14-16H2,(H,25,29) |
| InChIKey | GIBYBGGRZZHPJA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:120978) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32421 | LINCS |