EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14F3N3S |
| Net Charge | 0 |
| Average Mass | 337.370 |
| Monoisotopic Mass | 337.08605 |
| SMILES | N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1N1CCCCC1 |
| InChI | InChI=1S/C16H14F3N3S/c17-16(18,19)12-9-13(14-5-4-8-23-14)21-15(11(12)10-20)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2 |
| InChIKey | KGBXGQJLQZFTGA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile (CHEBI:114947) is a nitrile (CHEBI:18379) |
| 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile (CHEBI:114947) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26410 | LINCS |