1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone

Properties Image MNX_ID MNXM341038 reference chebi:120611 formula C18H17ClF3N3O3S2 global charge 0 mol weight 479.933 InChIKey BLYQANHXALTOAJ-UHFFFAOYSA-N InChI InChI=1S/C18H17ClF3N3O3S2/c19-15-10-13(18(20,21)22)11-23-17(15)29-12-16(26)24-6-8-25(9-7-24)30(27,28)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2 SMILES O=C(CSC1=C(Cl)C=C(C(F)(F)F)C=N1)N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1 MNX internals InChI (mnx) InChI=1/C18H17ClF3N3O3S2/c19-15-10-13(18(20,21)22)11-23-17(15)29-12-16(26)24-6-8-25(9-7-24)30(27,28)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14]([S:30]([N:25]2[CH2:8][CH2:6][N:24]([C:16]([CH2:12][S:29][C:17]3=[C:15]([Cl:19])[CH:10]=[C:13]([C:18]([F:20])([F:21])[F:22])[CH:11]=[N:23]3)=[O:26])[CH2:7][CH2:9]2)(=[O:27])=[O:28])[CH:5]=[CH:3]1

Parent-child relations graph

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