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5-Cyano-2-methyl-6-(2-oxo-cyclohexylsulfanyl)-[4,4']bipyridinyl-3-carboxylic acid phenylamide
SpectraBase Compound ID GBtSQB6pRD5
InChI InChI=1S/C25H22N4O2S/c1-16-22(24(31)29-18-7-3-2-4-8-18)23(17-11-13-27-14-12-17)19(15-26)25(28-16)32-21-10-6-5-9-20(21)30/h2-4,7-8,11-14,21H,5-6,9-10H2,1H3,(H,29,31)
InChIKey CXARKZNIHHKWQM-UHFFFAOYSA-N
Mol Weight 442.54 g/mol
Molecular Formula C25H22N4O2S
Exact Mass 442.146347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZXahKAagq
Name 5-Cyano-2-methyl-6-(2-oxo-cyclohexylsulfanyl)-[4,4']bipyridinyl-3-carboxylic acid phenylamide
Alternate Name(s) 5-cyano-2-methyl-6-[(2-oxocyclohexyl)sulfanyl]-N-phenyl-4-(pyridin-4-yl)pyridine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N4O2S
InChI InChI=1S/C25H22N4O2S/c1-16-22(24(31)29-18-7-3-2-4-8-18)23(17-11-13-27-14-12-17)19(15-26)25(28-16)32-21-10-6-5-9-20(21)30/h2-4,7-8,11-14,21H,5-6,9-10H2,1H3,(H,29,31)
InChIKey CXARKZNIHHKWQM-UHFFFAOYSA-N
Molecular Weight 442.537 g/mol
SMILES N(C(c1c(c(C#N)c(nc1C)SC1C(=O)CCCC1)-c1ccncc1)=O)c1ccccc1
SPLASH splash10-0f6x-5498700000-e6a7f44e4aa0f8c493e9
Wiley ID 1455036