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Benzenecarbothioic acid, S-[(benzoylthio)[3-oxo-5,7-diphenyl-5H-thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl] ester
SpectraBase Compound ID CsPefPaGFYB
InChI InChI=1S/C33H22N2O3S3/c36-29-28(32(40-30(37)24-17-9-3-10-18-24)41-31(38)25-19-11-4-12-20-25)39-33-34-26(22-13-5-1-6-14-22)21-27(35(29)33)23-15-7-2-8-16-23/h1-21,27H
InChIKey QFXZJCLSPQPVAD-UHFFFAOYSA-N
Mol Weight 590.7 g/mol
Molecular Formula C33H22N2O3S3
Exact Mass 590.079256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ae8lsRSgcK
Name Benzenecarbothioic acid, S-[(benzoylthio)[3-oxo-5,7-diphenyl-5H-thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl] ester
Alternate Name(s) S-[(benzoylsulfanyl)(3-oxo-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H22N2O3S3
InChI InChI=1S/C33H22N2O3S3/c36-29-28(32(40-30(37)24-17-9-3-10-18-24)41-31(38)25-19-11-4-12-20-25)39-33-34-26(22-13-5-1-6-14-22)21-27(35(29)33)23-15-7-2-8-16-23/h1-21,27H
InChIKey QFXZJCLSPQPVAD-UHFFFAOYSA-N
Molecular Weight 590.730 g/mol
SMILES c1c(C(SC(=C2SC=3N(C(c4ccccc4)C=C(c4ccccc4)N3)C2=O)SC(c2ccccc2)=O)=O)cccc1
SPLASH splash10-0a6r-8900000000-4983debad92a65fc8c3e
Wiley ID 1444341