EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N4OS |
| Net Charge | 0 |
| Average Mass | 338.436 |
| Monoisotopic Mass | 338.12013 |
| SMILES | Cc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1C |
| InChI | InChI=1S/C18H18N4OS/c1-13-8-9-15(10-14(13)2)20-17(23)11-24-18-19-12-22(21-18)16-6-4-3-5-7-16/h3-10,12H,11H2,1-2H3,(H,20,23) |
| InChIKey | CWBPXDVAGWTBGR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide (CHEBI:119910) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31354 | LINCS |