EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12F3N3OS3 |
| Net Charge | 0 |
| Average Mass | 415.487 |
| Monoisotopic Mass | 415.00946 |
| SMILES | O=C(Cc1cccs1)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 |
| InChI | InChI=1S/C16H12F3N3OS3/c17-16(18,19)11-5-3-10(4-6-11)9-25-15-22-21-14(26-15)20-13(23)8-12-2-1-7-24-12/h1-7H,8-9H2,(H,20,21,23) |
| InChIKey | HPZLLNQNMIJGDF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-thiophen-2-yl-N-[5-[[4-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]acetamide (CHEBI:114360) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25820 | LINCS |