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5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methylphenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID IKVD3Z4oqCx
InChI InChI=1S/C24H19BrN2OS3/c1-13-4-6-16(7-5-13)19-12-20(17-8-10-18(25)11-9-17)27-22(28)21(31-24(27)26-19)23-29-14(2)15(3)30-23/h4-12,20H,1-3H3
InChIKey XDRUVLUJUBNMAC-UHFFFAOYSA-N
Mol Weight 527.51 g/mol
Molecular Formula C24H19BrN2OS3
Exact Mass 525.98429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQgiLC9dxx2
Name 5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methylphenyl)-5H-thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19BrN2OS3
InChI InChI=1S/C24H19BrN2OS3/c1-13-4-6-16(7-5-13)19-12-20(17-8-10-18(25)11-9-17)27-22(28)21(31-24(27)26-19)23-29-14(2)15(3)30-23/h4-12,20H,1-3H3
InChIKey XDRUVLUJUBNMAC-UHFFFAOYSA-N
Molecular Weight 527.513 g/mol
SMILES C1=C(c2ccc(cc2)C)N=C2SC(C(N2C1c1ccc(cc1)Br)=O)=C1SC(=C(S1)C)C
SPLASH splash10-00di-1922010000-5cf2664e16bd5bad07b8
Synonyms 5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Wiley ID 1444353