EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N2OS2 |
| Net Charge | 0 |
| Average Mass | 316.451 |
| Monoisotopic Mass | 316.07041 |
| SMILES | O=c1nc2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2 |
| InChI | InChI=1S/C16H16N2OS2/c19-16-18-15-14(21-16)12(10-2-1-5-17-7-10)11-8-3-4-9(6-8)13(11)20-15/h1-2,5,7-9,11-13H,3-4,6H2,(H,18,19) |
| InChIKey | RRGJAKVGOZYHOQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1646 (CHEBI:91763) is a monoterpenoid (CHEBI:25409) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1646 | LINCS |