EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H15FN6OS |
| Net Charge | 0 |
| Average Mass | 382.424 |
| Monoisotopic Mass | 382.10121 |
| SMILES | Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccccc1F |
| InChI | InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3 |
| InChIKey | VUDHFUHPZLIZAW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone (CHEBI:116970) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28418 | LINCS |