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2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,7-diphenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID 2PvvoWFsPqV
InChI InChI=1S/C33H22N2OS3/c36-31-30(32-37-28(24-17-9-3-10-18-24)29(38-32)25-19-11-4-12-20-25)39-33-34-26(22-13-5-1-6-14-22)21-27(35(31)33)23-15-7-2-8-16-23/h1-21,27H
InChIKey RYSVAVHEQGNGGX-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C33H22N2OS3
Exact Mass 558.089427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF98qGJ80Ge
Name 2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,7-diphenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
Alternate Name(s) 2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H22N2OS3
InChI InChI=1S/C33H22N2OS3/c36-31-30(32-37-28(24-17-9-3-10-18-24)29(38-32)25-19-11-4-12-20-25)39-33-34-26(22-13-5-1-6-14-22)21-27(35(31)33)23-15-7-2-8-16-23/h1-21,27H
InChIKey RYSVAVHEQGNGGX-UHFFFAOYSA-N
Molecular Weight 558.732 g/mol
SMILES C1=C(c2ccccc2)N=C2N(C(C(=C3SC(c4ccccc4)=C(c4ccccc4)S3)S2)=O)C1c1ccccc1
SPLASH splash10-004j-5690000000-bc9eb19bf0faaf763f92
Wiley ID 1444356