EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18F3N3O2S |
| Net Charge | 0 |
| Average Mass | 385.411 |
| Monoisotopic Mass | 385.10718 |
| SMILES | O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C17H18F3N3O2S/c18-17(19,20)11-5-4-6-12(9-11)21-14(24)10-13-15(25)22-16(26-13)23-7-2-1-3-8-23/h4-6,9,13H,1-3,7-8,10H2,(H,21,24) |
| InChIKey | YFQAKEJZJFOMGC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CHEBI:119980) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31423 | LINCS |