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5-(4-Chloro-phenyl)-2-(4,5-diphenyl-[1,3]dithiol-2-ylidene)-7-p-tolyl-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID Lim3rvkRLe9
InChI InChI=1S/C34H23ClN2OS3/c1-21-12-14-22(15-13-21)27-20-28(23-16-18-26(35)19-17-23)37-32(38)31(41-34(37)36-27)33-39-29(24-8-4-2-5-9-24)30(40-33)25-10-6-3-7-11-25/h2-20,28H,1H3
InChIKey ORUJPDRIMHTQJW-UHFFFAOYSA-N
Mol Weight 607.2 g/mol
Molecular Formula C34H23ClN2OS3
Exact Mass 606.066105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KZQcEbWghA
Name 5-(4-Chloro-phenyl)-2-(4,5-diphenyl-[1,3]dithiol-2-ylidene)-7-p-tolyl-5H-thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H23ClN2OS3
InChI InChI=1S/C34H23ClN2OS3/c1-21-12-14-22(15-13-21)27-20-28(23-16-18-26(35)19-17-23)37-32(38)31(41-34(37)36-27)33-39-29(24-8-4-2-5-9-24)30(40-33)25-10-6-3-7-11-25/h2-20,28H,1H3
InChIKey ORUJPDRIMHTQJW-UHFFFAOYSA-N
Molecular Weight 607.204 g/mol
SMILES C1=C(c2ccc(cc2)C)N=C2N(C(=O)C(=C3SC(c4ccccc4)=C(c4ccccc4)S3)S2)C1c1ccc(cc1)Cl
SPLASH splash10-0002-0391000000-7567bdcb9433cb03e94f
Synonyms 5-(4-Chlorophenyl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Wiley ID 1444361