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5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID IxgswioPbJj
InChI InChI=1S/C24H19BrN2O2S3/c1-13-14(2)31-23(30-13)21-22(28)27-20(16-4-8-17(25)9-5-16)12-19(26-24(27)32-21)15-6-10-18(29-3)11-7-15/h4-12,20H,1-3H3
InChIKey VIEPXJBDTPVOJP-UHFFFAOYSA-N
Mol Weight 543.51 g/mol
Molecular Formula C24H19BrN2O2S3
Exact Mass 541.979204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wrLAG1Hy20
Name 5-(4-bromophenyl)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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Formula C24H19BrN2O2S3
InChI InChI=1S/C24H19BrN2O2S3/c1-13-14(2)31-23(30-13)21-22(28)27-20(16-4-8-17(25)9-5-16)12-19(26-24(27)32-21)15-6-10-18(29-3)11-7-15/h4-12,20H,1-3H3
InChIKey VIEPXJBDTPVOJP-UHFFFAOYSA-N
Molecular Weight 543.512 g/mol
SMILES C1=C(c2ccc(cc2)OC)N=C2SC(C(N2C1c1ccc(cc1)Br)=O)=C1SC(=C(S1)C)C
SPLASH splash10-00di-1923000000-4c1f86a93f0c52cc0601
Wiley ID 1444357