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2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-5H-thiazolo[3,2-a]pyrimidin-3-one

View entire compound with spectra: 1 MS (GC)

2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID 7QHYaGAQc29
InChI InChI=1S/C25H22N2O2S3/c1-4-29-19-12-10-17(11-13-19)20-14-21(18-8-6-5-7-9-18)27-23(28)22(32-25(27)26-20)24-30-15(2)16(3)31-24/h5-14,21H,4H2,1-3H3
InChIKey DRVLTLPRDICTGR-UHFFFAOYSA-N
Mol Weight 478.64 g/mol
Molecular Formula C25H22N2O2S3
Exact Mass 478.084341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UKbckMgfkw
Name 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-7-p-phenetyl-5H-thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O2S3
InChI InChI=1S/C25H22N2O2S3/c1-4-29-19-12-10-17(11-13-19)20-14-21(18-8-6-5-7-9-18)27-23(28)22(32-25(27)26-20)24-30-15(2)16(3)31-24/h5-14,21H,4H2,1-3H3
InChIKey DRVLTLPRDICTGR-UHFFFAOYSA-N
Molecular Weight 478.643 g/mol
SMILES C1=C(c2ccc(cc2)OCC)N=C2SC(C(N2C1c1ccccc1)=O)=C1SC(=C(S1)C)C
SPLASH splash10-0uk9-1921700000-1a8becdc21bc6e8ed653
Synonyms 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-ethoxyphenyl)-5-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-ethoxyphenyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Wiley ID 1444363