EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N3OS |
| Net Charge | 0 |
| Average Mass | 297.383 |
| Monoisotopic Mass | 297.09358 |
| SMILES | Cc1ccccc1NC1=NC(=O)C(=Cc2cccn2C)S1 |
| InChI | InChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20) |
| InChIKey | MXOCRJFHQPCTNY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-methylanilino)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-thiazolone (CHEBI:114314) is a substituted aniline (CHEBI:48975) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25774 | LINCS |