EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17N3S2 |
| Net Charge | 0 |
| Average Mass | 267.423 |
| Monoisotopic Mass | 267.08639 |
| SMILES | CCCCCCn1c(-c2cccs2)nnc1=S |
| InChI | InChI=1S/C12H17N3S2/c1-2-3-4-5-8-15-11(13-14-12(15)16)10-7-6-9-17-10/h6-7,9H,2-5,8H2,1H3,(H,14,16) |
| InChIKey | VFXXQDUIKBULRC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hexyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CHEBI:117097) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28544 | LINCS |