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7-(4-Bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
SpectraBase Compound ID DWTxrT4aV7
InChI InChI=1S/C23H17BrN2OS3/c1-13-14(2)29-22(28-13)20-21(27)26-19(16-6-4-3-5-7-16)12-18(25-23(26)30-20)15-8-10-17(24)11-9-15/h3-12,19H,1-2H3
InChIKey PWUMSQUHESEHQT-UHFFFAOYSA-N
Mol Weight 513.49 g/mol
Molecular Formula C23H17BrN2OS3
Exact Mass 511.96864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59aXABGzCXj
Name 7-(4-Bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Alternate Name(s) 7-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17BrN2OS3
InChI InChI=1S/C23H17BrN2OS3/c1-13-14(2)29-22(28-13)20-21(27)26-19(16-6-4-3-5-7-16)12-18(25-23(26)30-20)15-8-10-17(24)11-9-15/h3-12,19H,1-2H3
InChIKey PWUMSQUHESEHQT-UHFFFAOYSA-N
Molecular Weight 513.486 g/mol
SMILES C1=C(N=C2SC(C(N2C1c1ccccc1)=O)=C1SC(=C(S1)C)C)c1ccc(cc1)Br
SPLASH splash10-00di-2920100000-73671110e46aafc505d3
Wiley ID 1444349