EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13N3OS2 |
| Net Charge | 0 |
| Average Mass | 315.423 |
| Monoisotopic Mass | 315.05000 |
| SMILES | N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O |
| InChI | InChI=1S/C15H13N3OS2/c16-7-11-10(13-2-1-5-20-13)6-12(9-3-4-9)18-15(11)21-8-14(17)19/h1-2,5-6,9H,3-4,8H2,(H2,17,19) |
| InChIKey | ZLJVVAGJGBXEHR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)thio]acetamide (CHEBI:121796) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33239 | LINCS |