EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21N5OS |
| Net Charge | 0 |
| Average Mass | 379.489 |
| Monoisotopic Mass | 379.14668 |
| SMILES | CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1 |
| InChI | InChI=1S/C20H21N5OS/c1-2-12-25-19(16-7-10-21-11-8-16)22-23-20(25)27-14-18(26)24-13-9-15-5-3-4-6-17(15)24/h3-8,10-11H,2,9,12-14H2,1H3 |
| InChIKey | KIRHYNHMEYPUGZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone (CHEBI:108539) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19913 | LINCS |