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(-n2c(SCC(N)=O)nnc2-c2cccnc2)c(C)c1 |
| InChI | InChI=1S/C17H17N5OS/c1-11-5-6-14(12(2)8-11)22-16(13-4-3-7-19-9-13)20-21-17(22)24-10-15(18)23/h3-9H,10H2,1-2H3,(H2,18,23) |
| InChIKey | LLHCVWIEIRPOAK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:121668) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33111 | LINCS |