EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N5O5S |
| Net Charge | 0 |
| Average Mass | 391.409 |
| Monoisotopic Mass | 391.09504 |
| SMILES | Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cccc1[N+](=O)[O-] |
| InChI | InChI=1S/C16H17N5O5S/c1-10-11(3-2-4-13(10)21(24)25)14(22)18-19-15(23)12-9-27-16(17-12)20-5-7-26-8-6-20/h2-4,9H,5-8H2,1H3,(H,18,22)(H,19,23) |
| InChIKey | SFCSLMCAPBEOII-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[(2-methyl-3-nitrophenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide (CHEBI:92461) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2576 | LINCS |