EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H20N2O3S |
| Net Charge | 0 |
| Average Mass | 356.447 |
| Monoisotopic Mass | 356.11946 |
| SMILES | CCOc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)nc2=S)cc1 |
| InChI | InChI=1S/C19H20N2O3S/c1-4-24-15-8-6-14(7-9-15)21-12-16(20-19(21)25)13-5-10-17(22-2)18(11-13)23-3/h5-12H,4H2,1-3H3,(H,20,25) |
| InChIKey | KNTRTQJGFCKVTM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-imidazole-2-thione (CHEBI:108952) is a 1,3-dihydroimidazole-2-thiones (CHEBI:139340) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20350 | LINCS |