EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14N4S |
| Net Charge | 0 |
| Average Mass | 294.383 |
| Monoisotopic Mass | 294.09392 |
| SMILES | Cc1cc(SCC#N)n2nc(C)c(-c3ccccc3)c2n1 |
| InChI | InChI=1S/C16H14N4S/c1-11-10-14(21-9-8-17)20-16(18-11)15(12(2)19-20)13-6-4-3-5-7-13/h3-7,10H,9H2,1-2H3 |
| InChIKey | IKRWSIONZWYJSC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CHEBI:108392) is a pyrazoles (CHEBI:26410) |
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CHEBI:108392) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19768 | LINCS |