EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H21N3S |
| Net Charge | 0 |
| Average Mass | 263.410 |
| Monoisotopic Mass | 263.14562 |
| SMILES | CCCCCC1(C)NC(=S)N(c2ccccc2)N1 |
| InChI | InChI=1S/C14H21N3S/c1-3-4-8-11-14(2)15-13(18)17(16-14)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H,15,18) |
| InChIKey | PNZKZFFPLXJZJA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione (CHEBI:111412) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22868 | LINCS |