EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N4S |
| Net Charge | 0 |
| Average Mass | 322.437 |
| Monoisotopic Mass | 322.12522 |
| SMILES | CCn1c(CSc2nc3ccccc3n2C)nc2ccccc21 |
| InChI | InChI=1S/C18H18N4S/c1-3-22-16-11-7-5-9-14(16)19-17(22)12-23-18-20-13-8-4-6-10-15(13)21(18)2/h4-11H,3,12H2,1-2H3 |
| InChIKey | HBEOXHJIXRVGHQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole (CHEBI:107867) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19244 | LINCS |