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CHEBI:95385 - (2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
| Formula | C21H19FN2O3S |
| Net Charge | 0 |
| Average Mass | 398.459 |
| Monoisotopic Mass | 398.11004 |
| SMILES | CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]1CO |
| InChI | InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20-,21-/m1/s1 |
| InChIKey | UCQARJGLVBPITC-NJDAHSKKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95385) is a azetidines (CHEBI:38777) |
| (2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95385) is a benzenes (CHEBI:22712) |
| (2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95385) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6764 | LINCS |