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7-(4-Bromo-phenyl)-2-(4,5-diphenyl-[1,3]dithiol-2-ylidene)-5-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID DG4SUbqtVBt
InChI InChI=1S/C33H21BrN2OS3/c34-25-18-16-21(17-19-25)26-20-27(22-10-4-1-5-11-22)36-31(37)30(40-33(36)35-26)32-38-28(23-12-6-2-7-13-23)29(39-32)24-14-8-3-9-15-24/h1-20,27H
InChIKey YEWASDLCFOITRX-UHFFFAOYSA-N
Mol Weight 637.6 g/mol
Molecular Formula C33H21BrN2OS3
Exact Mass 635.99994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Bhg7VpNPU
Name 7-(4-Bromo-phenyl)-2-(4,5-diphenyl-[1,3]dithiol-2-ylidene)-5-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H21BrN2OS3
InChI InChI=1S/C33H21BrN2OS3/c34-25-18-16-21(17-19-25)26-20-27(22-10-4-1-5-11-22)36-31(37)30(40-33(36)35-26)32-38-28(23-12-6-2-7-13-23)29(39-32)24-14-8-3-9-15-24/h1-20,27H
InChIKey YEWASDLCFOITRX-UHFFFAOYSA-N
Molecular Weight 637.628 g/mol
SMILES C1=C(c2ccc(cc2)Br)N=C2N(C(C(=C3SC(c4ccccc4)=C(c4ccccc4)S3)S2)=O)C1c1ccccc1
SPLASH splash10-0002-1490000000-c9eeb40f0ff378e5c1ad
Synonyms 7-(4-Bromophenyl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Wiley ID 1444359