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2-(6-Amino-3-cyano-5-tosylpyridin-2-yl)malononitrile
SpectraBase Compound ID beGcV9l9qh
InChI InChI=1S/C16H11N5O2S/c1-10-2-4-13(5-3-10)24(22,23)14-6-11(7-17)15(21-16(14)20)12(8-18)9-19/h2-6,12H,1H3,(H2,20,21)
InChIKey KCLQRMDBXPZMTG-UHFFFAOYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C16H11N5O2S
Exact Mass 337.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcrXX3FFcD4
Name 2-(6-Amino-3-cyano-5-tosylpyridin-2-yl)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O2S
InChI InChI=1S/C16H11N5O2S/c1-10-2-4-13(5-3-10)24(22,23)14-6-11(7-17)15(21-16(14)20)12(8-18)9-19/h2-6,12H,1H3,(H2,20,21)
InChIKey KCLQRMDBXPZMTG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100335
Molecular Weight 337.357 g/mol
SMILES Nc1c(cc(c(n1)C(C#N)C#N)C#N)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-000i-2953000000-56991d08d87fc33b6b04
Source of Spectrum APC-345-383-9a
Synonyms 2-[6-amino-3-cyano-5-(4-methylphenyl)sulfonyl-2-pyridinyl]propanedinitrile 2-[6-amino-3-cyano-5-(4-methylphenyl)sulfonylpyridin-2-yl]propanedinitrile 2-[6-amino-3-cyano-5-(p-tolylsulfonyl)-2-pyridyl]propanedinitrile 2-[6-azanyl-3-cyano-5-(4-methylphenyl)sulfonyl-pyridin-2-yl]propanedinitrile
Wiley ID 1769372