EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N5O3S2 |
| Net Charge | 0 |
| Average Mass | 391.478 |
| Monoisotopic Mass | 391.07728 |
| SMILES | CCc1nnc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)s1 |
| InChI | InChI=1S/C16H17N5O3S2/c1-3-14-19-20-15(26-14)17-12(22)9-25-16-21-18-13(24-16)8-23-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,17,20,22) |
| InChIKey | JRANBLWALFTCTI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide (CHEBI:120481) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31924 | LINCS |