EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15N3O2S |
| Net Charge | 0 |
| Average Mass | 277.349 |
| Monoisotopic Mass | 277.08850 |
| SMILES | C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1=S |
| InChI | InChI=1S/C13H15N3O2S/c1-4-5-16-12(14-15-13(16)19)9-6-10(17-2)8-11(7-9)18-3/h4,6-8H,1,5H2,2-3H3,(H,15,19) |
| InChIKey | GQNBPSAIMKYLNC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CHEBI:105141) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16504 | LINCS |