EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13ClN4OS |
| Net Charge | 0 |
| Average Mass | 368.849 |
| Monoisotopic Mass | 368.04986 |
| SMILES | Cn1c2ccccc2c2nnc(SCC(=O)c3ccc(Cl)cc3)nc21 |
| InChI | InChI=1S/C18H13ClN4OS/c1-23-14-5-3-2-4-13(14)16-17(23)20-18(22-21-16)25-10-15(24)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3 |
| InChIKey | BSXOMXZEQWAYJE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-chlorophenyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanone (CHEBI:94152) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4767 | LINCS |