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2-(methylthio)-1-(4-(5-(p-tolyl)imidazol-2-yl)thiazolidin-3-yl)propan-1-one
SpectraBase Compound ID FaeDTxATHNo
InChI InChI=1S/C17H21N3OS2/c1-11-4-6-13(7-5-11)14-8-18-16(19-14)15-9-23-10-20(15)17(21)12(2)22-3/h4-8,12,15H,9-10H2,1-3H3,(H,18,19)
InChIKey CPIQVLOFYFNERE-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C17H21N3OS2
Exact Mass 347.112605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ply8UFOTTH
Name 2-(methylthio)-1-(4-(5-(p-tolyl)imidazol-2-yl)thiazolidin-3-yl)propan-1-one
Appearance Pale yellow oil
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Formula C17H21N3OS2
InChI InChI=1S/C17H21N3OS2/c1-11-4-6-13(7-5-11)14-8-18-16(19-14)15-9-23-10-20(15)17(21)12(2)22-3/h4-8,12,15H,9-10H2,1-3H3,(H,18,19)
InChIKey CPIQVLOFYFNERE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 347.495 g/mol
SMILES [nH]1c(ncc1-c1ccc(cc1)C)C1N(C(C(C)SC)=O)CSC1
SPLASH splash10-003l-4931000000-543ae9299dfd50a650a1
Source of Spectrum WO2021074281A1
Wiley ID 1880096