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7-(4-Chloro-phenyl)-2-[1,3]dithiolan-2-ylidene-5-(4-methoxy-phenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID JIIIlY0xJdk
InChI InChI=1S/C22H17ClN2O2S3/c1-27-16-8-4-14(5-9-16)18-12-17(13-2-6-15(23)7-3-13)24-22-25(18)20(26)19(30-22)21-28-10-11-29-21/h2-9,12,18H,10-11H2,1H3
InChIKey JYSIANQLJQKZQR-UHFFFAOYSA-N
Mol Weight 473.02 g/mol
Molecular Formula C22H17ClN2O2S3
Exact Mass 472.014069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQp30nPJC4Z
Name 7-(4-Chloro-phenyl)-2-[1,3]dithiolan-2-ylidene-5-(4-methoxy-phenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClN2O2S3
InChI InChI=1S/C22H17ClN2O2S3/c1-27-16-8-4-14(5-9-16)18-12-17(13-2-6-15(23)7-3-13)24-22-25(18)20(26)19(30-22)21-28-10-11-29-21/h2-9,12,18H,10-11H2,1H3
InChIKey JYSIANQLJQKZQR-UHFFFAOYSA-N
Molecular Weight 473.023 g/mol
SMILES COc1ccc(C2C=C(c3ccc(cc3)Cl)N=C3N2C(C(S3)=C2SCCS2)=O)cc1
SPLASH splash10-00kb-2914100000-9c1a7b4d87b998cd9a6a
Synonyms 7-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Wiley ID 1444346