EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N5O5S2 |
| Net Charge | 0 |
| Average Mass | 489.579 |
| Monoisotopic Mass | 489.11406 |
| SMILES | Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 |
| InChI | InChI=1S/C21H23N5O5S2/c1-25-20(15-5-7-18(8-6-15)33(29,30)26-9-11-31-12-10-26)23-24-21(25)32-14-19(28)22-16-3-2-4-17(27)13-16/h2-8,13,27H,9-12,14H2,1H3,(H,22,28) |
| InChIKey | AVKUFZPTBDCXRO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-hydroxyphenyl)-2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:116441) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27895 | LINCS |