EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N6O2S |
| Net Charge | 0 |
| Average Mass | 382.449 |
| Monoisotopic Mass | 382.12119 |
| SMILES | CNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 |
| InChI | InChI=1S/C18H18N6O2S/c1-19-17(26)21-15(25)12-27-18-23-22-16(14-7-9-20-10-8-14)24(18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,21,25,26) |
| InChIKey | CEQUZDYLXBLBMM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(methylcarbamoyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:93951) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4532 | LINCS |