EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14ClN7O2S |
| Net Charge | 0 |
| Average Mass | 379.833 |
| Monoisotopic Mass | 379.06182 |
| SMILES | NC(=S)NN=C1CC(n2nnnc2-c2ccccc2Cl)C2COC1O2 |
| InChI | InChI=1S/C14H14ClN7O2S/c15-8-4-2-1-3-7(8)12-18-20-21-22(12)10-5-9(17-19-14(16)25)13-23-6-11(10)24-13/h1-4,10-11,13H,5-6H2,(H3,16,19,25) |
| InChIKey | YBDDQEKCHZFQOA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [[2-[5-(2-chlorophenyl)-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea (CHEBI:116185) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27641 | LINCS |