EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N7OS2 |
| Net Charge | 0 |
| Average Mass | 437.554 |
| Monoisotopic Mass | 437.10925 |
| SMILES | CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccn1 |
| InChI | InChI=1S/C20H19N7OS2/c1-2-12-27-17(15-10-6-7-11-21-15)23-26-20(27)29-13-16(28)22-19-25-24-18(30-19)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,25,28) |
| InChIKey | AEINRCKWDKCKJY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:114416) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25877 | LINCS |