EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20N4O3S2 |
| Net Charge | 0 |
| Average Mass | 464.572 |
| Monoisotopic Mass | 464.09768 |
| SMILES | CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cccs1 |
| InChI | InChI=1S/C23H20N4O3S2/c1-3-27-22(20-9-6-10-31-20)25-26-23(27)32-13-21(28)24-16-12-18-15(11-19(16)29-2)14-7-4-5-8-17(14)30-18/h4-12H,3,13H2,1-2H3,(H,24,28) |
| InChIKey | GHGULWMGPZJWNQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-3-dibenzofuranyl)acetamide (CHEBI:114777) is a dibenzofurans (CHEBI:38922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26240 | LINCS |