EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13N5O3S2 |
| Net Charge | 0 |
| Average Mass | 375.435 |
| Monoisotopic Mass | 375.04598 |
| SMILES | CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1 |
| InChI | InChI=1S/C15H13N5O3S2/c1-8-13(25-15(16-8)17-9(2)21)12-7-24-14(19-12)18-10-4-3-5-11(6-10)20(22)23/h3-7H,1-2H3,(H,18,19)(H,16,17,21) |
| InChIKey | VCGYNRNTEBKAIL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide (CHEBI:109830) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21258 | LINCS |