EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N4O3S |
| Net Charge | 0 |
| Average Mass | 344.396 |
| Monoisotopic Mass | 344.09431 |
| SMILES | COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1 |
| InChI | InChI=1S/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21) |
| InChIKey | VPVUPMJTXCFVSR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide (CHEBI:120917) is a imidazoles (CHEBI:24780) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32360 | LINCS |