EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N3S2 |
| Net Charge | 0 |
| Average Mass | 287.413 |
| Monoisotopic Mass | 287.05509 |
| SMILES | Cc1cc(-c2nnc(=S)n2-c2ccccc2C)cs1 |
| InChI | InChI=1S/C14H13N3S2/c1-9-5-3-4-6-12(9)17-13(15-16-14(17)18)11-7-10(2)19-8-11/h3-8H,1-2H3,(H,16,18) |
| InChIKey | JEPDSTZJDANDNU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2-methylphenyl)-3-(5-methyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione (CHEBI:120444) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31887 | LINCS |