EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N4O3S2 |
| Net Charge | 0 |
| Average Mass | 452.561 |
| Monoisotopic Mass | 452.09768 |
| SMILES | Cc1cc(C=C2SC(Nc3ccccc3)=NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 |
| InChI | InChI=1S/C22H20N4O3S2/c1-14-12-16(15(2)26(14)18-8-10-19(11-9-18)31(23,28)29)13-20-21(27)25-22(30-20)24-17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,23,28,29)(H,24,25,27) |
| InChIKey | ODRSSOQWOHNABY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[3-[(2-anilino-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide (CHEBI:123445) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34887 | LINCS |