EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H15N3O2S |
| Net Charge | 0 |
| Average Mass | 301.371 |
| Monoisotopic Mass | 301.08850 |
| SMILES | COc1cccc(Cc2nnc(=S)n2Cc2ccco2)c1 |
| InChI | InChI=1S/C15H15N3O2S/c1-19-12-5-2-4-11(8-12)9-14-16-17-15(21)18(14)10-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H,17,21) |
| InChIKey | NVOGKKGHHLWPPY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione (CHEBI:114534) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25995 | LINCS |