EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H16F2N6O4S |
| Net Charge | 0 |
| Average Mass | 438.416 |
| Monoisotopic Mass | 438.09218 |
| SMILES | Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1 |
| InChI | InChI=1S/C17H16F2N6O4S/c18-15(19)29-11-5-3-10(4-6-11)14-23-24-17(25(14)20)30-9-13(26)22-16(27)21-8-12-2-1-7-28-12/h1-7,15H,8-9,20H2,(H2,21,22,26,27) |
| InChIKey | RWXZKHSBCIAOEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide (CHEBI:120519) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31962 | LINCS |