EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N6O2S2 |
| Net Charge | 0 |
| Average Mass | 440.554 |
| Monoisotopic Mass | 440.10892 |
| SMILES | Cc1ccc(C)c(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1 |
| InChI | InChI=1S/C20H20N6O2S2/c1-11-5-6-12(2)16(9-11)26-18(15-7-8-28-13(15)3)23-25-20(26)29-10-17(27)21-19-24-22-14(4)30-19/h5-9H,10H2,1-4H3,(H,21,24,27) |
| InChIKey | RQOHWYYMMAZHPG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CHEBI:113032) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24442 | LINCS |