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4-[(5-cyano-2-methyl-6-phenyl-4-pyrimidinyl)disulfanyl]-2-methyl-6-phenyl-5-pyrimidinecarbonitrile
SpectraBase Compound ID 6i4wMdgEGqI
InChI InChI=1S/C24H16N6S2/c1-15-27-21(17-9-5-3-6-10-17)19(13-25)23(29-15)31-32-24-20(14-26)22(28-16(2)30-24)18-11-7-4-8-12-18/h3-12H,1-2H3
InChIKey OBMHHMIPXNGIJX-UHFFFAOYSA-N
Mol Weight 452.55 g/mol
Molecular Formula C24H16N6S2
Exact Mass 452.087787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LPMvDg2AbT
Name 4-[(5-cyano-2-methyl-6-phenyl-4-pyrimidinyl)disulfanyl]-2-methyl-6-phenyl-5-pyrimidinecarbonitrile
CAS Registry Number 82141-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N6S2
InChI InChI=1S/C24H16N6S2/c1-15-27-21(17-9-5-3-6-10-17)19(13-25)23(29-15)31-32-24-20(14-26)22(28-16(2)30-24)18-11-7-4-8-12-18/h3-12H,1-2H3
InChIKey OBMHHMIPXNGIJX-UHFFFAOYSA-N
Molecular Weight 452.554 g/mol
SMILES Cc1nc(-c2ccccc2)c(C#N)c(n1)SSc1c(C#N)c(-c2ccccc2)nc(C)n1
SPLASH splash10-0udi-0730900000-b6f93f02ecb275077db5
Source of Spectrum W5-1989-34217-31319
Synonyms 4-[(5-cyano-2-methyl-6-phenyl-pyrimidin-4-yl)disulfanyl]-2-methyl-6-phenyl-pyrimidine-5-carbonitrile Bis(5-cyano-2-methyl-6-phenyl-4-pyrimidinyl) disulfide
Wiley ID 1388218