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6-(allylthio)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxamide
SpectraBase Compound ID 6IT6pnqfy8E
InChI InChI=1S/C22H19ClN4OS/c1-3-11-29-22-18(12-24)20(15-5-4-10-25-13-15)19(14(2)26-22)21(28)27-17-8-6-16(23)7-9-17/h3-10,13,20,26H,1,11H2,2H3,(H,27,28)
InChIKey GYMCHSZTZYFPMZ-UHFFFAOYSA-N
Mol Weight 422.93 g/mol
Molecular Formula C22H19ClN4OS
Exact Mass 422.09681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8f0EwSnIW
Name 6-(allylthio)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClN4OS
InChI InChI=1S/C22H19ClN4OS/c1-3-11-29-22-18(12-24)20(15-5-4-10-25-13-15)19(14(2)26-22)21(28)27-17-8-6-16(23)7-9-17/h3-10,13,20,26H,1,11H2,2H3,(H,27,28)
InChIKey GYMCHSZTZYFPMZ-UHFFFAOYSA-N
Molecular Weight 422.934 g/mol
SMILES N1C(=C(C(Nc2ccc(cc2)Cl)=O)C(C(C#N)=C1SCC=C)c1cnccc1)C
SPLASH splash10-000t-4794000000-f7db4b73a5a5560f5962
Synonyms 6-Allylsulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxamide N-(4-chlorophenyl)-5-cyano-2-methyl-6-(prop-2-enylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxamide N-(4-chlorophenyl)-5-cyano-2-methyl-6-prop-2-enylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxamide
Wiley ID 1455034