EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N5OS |
| Net Charge | 0 |
| Average Mass | 339.424 |
| Monoisotopic Mass | 339.11538 |
| SMILES | Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2)cc1C |
| InChI | InChI=1S/C17H17N5OS/c1-11-3-4-14(9-12(11)2)19-15(23)10-24-17-20-16(21-22-17)13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22) |
| InChIKey | MLSGAEHCRDQLAR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide (CHEBI:112361) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23773 | LINCS |