EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:120789 - 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
| Formula | C13H11N3S2 |
| Net Charge | 0 |
| Average Mass | 273.386 |
| Monoisotopic Mass | 273.03944 |
| SMILES | S=c1nnc(Cc2cccs2)n1-c1ccccc1 |
| InChI | InChI=1S/C13H11N3S2/c17-13-15-14-12(9-11-7-4-8-18-11)16(13)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17) |
| InChIKey | SKHIDXWELBGNBE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CHEBI:120789) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32231 | LINCS |