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2-Amino-6-(2-oxocyclohexyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
SpectraBase Compound ID BhVZ7eI630j
InChI InChI=1S/C22H22N4OS/c1-13(2)14-7-9-15(10-8-14)20-16(11-23)21(25)26-22(17(20)12-24)28-19-6-4-3-5-18(19)27/h7-10,13,19H,3-6H2,1-2H3,(H2,25,26)
InChIKey GBHRGASLVFVWCF-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kcr0S1jhjUH
Name 2-Amino-6-(2-oxocyclohexyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4OS
InChI InChI=1S/C22H22N4OS/c1-13(2)14-7-9-15(10-8-14)20-16(11-23)21(25)26-22(17(20)12-24)28-19-6-4-3-5-18(19)27/h7-10,13,19H,3-6H2,1-2H3,(H2,25,26)
InChIKey GBHRGASLVFVWCF-UHFFFAOYSA-N
Molecular Weight 390.505 g/mol
SMILES Nc1c(C#N)c(c(c(n1)SC1C(=O)CCCC1)C#N)-c1ccc(cc1)C(C)C
SPLASH splash10-01oy-6589000000-23d344b4f6320f72f9d7
Synonyms 2-Amino-6-[(2-ketocyclohexyl)thio]-4-p-cumenyl-dinicotinonitrile 2-Amino-6-[(2-oxocyclohexyl)thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile 2-Azanyl-6-(2-oxidanylidenecyclohexyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
Wiley ID 1452926