EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14N4S |
| Net Charge | 0 |
| Average Mass | 258.350 |
| Monoisotopic Mass | 258.09392 |
| SMILES | Cc1nc2ccc(-c3nnc(=S)n3C)cc2c1C |
| InChI | InChI=1S/C13H14N4S/c1-7-8(2)14-11-5-4-9(6-10(7)11)12-15-16-13(18)17(12)3/h4-6,14H,1-3H3,(H,16,18) |
| InChIKey | WMEAOFQKCCTHIO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione (CHEBI:120709) is a methylindole (CHEBI:38460) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32151 | LINCS |