(2S,3S,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171722 reference chebi:99753 formula C22H20FN3OS global charge 0 mol weight 393.487 InChIKey IQRVCTXELZIWDH-HKBOAZHASA-N InChI InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21+/m1/s1 SMILES CCC1=CN=C(N2[C@H](C#N)[C@H](C3=CC=C(C4=CC(F)=CC=C4)C=C3)[C@@H]2CO)S1 MNX internals InChI (mnx) InChI=1/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][C:18]1=[CH:12][N:25]=[C:22]([N:26]2[C@H:19]([C:11]#[N:24])[C@H:21]([C:15]3=[CH:9][CH:7]=[C:14]([C:16]4=[CH:10][C:17]([F:23])=[CH:5][CH:3]=[CH:4]4)[CH:6]=[CH:8]3)[C@@H:20]2[CH2:13][OH:27])[S:28]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0