EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N2O3S |
| Net Charge | 0 |
| Average Mass | 342.420 |
| Monoisotopic Mass | 342.10381 |
| SMILES | COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)nc2=S)cc1 |
| InChI | InChI=1S/C18H18N2O3S/c1-21-14-7-5-13(6-8-14)20-11-15(19-18(20)24)12-4-9-16(22-2)17(10-12)23-3/h4-11H,1-3H3,(H,19,24) |
| InChIKey | IZLCIVYEZOSGHW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazole-2-thione (CHEBI:107466) is a 1,3-dihydroimidazole-2-thiones (CHEBI:139340) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18821 | LINCS |