EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N5O4S |
| Net Charge | 0 |
| Average Mass | 401.448 |
| Monoisotopic Mass | 401.11578 |
| SMILES | CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 |
| InChI | InChI=1S/C18H19N5O4S/c1-3-23-16(14-5-4-10-27-14)20-22-18(23)28-11-15(24)19-21-17(25)12-6-8-13(26-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,19,24)(H,21,25) |
| InChIKey | RBIPFOIMBKDSBP-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzohydrazide (CHEBI:121218) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32661 | LINCS |