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5'-Cyano-6'-ethylsulfanyl-2'-phenyl-1',4'-dihydro-[3,4']bipyridinyl-3'-carboxylic acid ethyl ester
SpectraBase Compound ID DdA0e2lc0M5
InChI InChI=1S/C22H21N3O2S/c1-3-27-22(26)19-18(16-11-8-12-24-14-16)17(13-23)21(28-4-2)25-20(19)15-9-6-5-7-10-15/h5-12,14,18,25H,3-4H2,1-2H3
InChIKey FXKRUHFBWXBHRN-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C22H21N3O2S
Exact Mass 391.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASf4BrJQN9F
Name 5'-Cyano-6'-ethylsulfanyl-2'-phenyl-1',4'-dihydro-[3,4']bipyridinyl-3'-carboxylic acid ethyl ester
Alternate Name(s) 5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester 5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate
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Formula C22H21N3O2S
InChI InChI=1S/C22H21N3O2S/c1-3-27-22(26)19-18(16-11-8-12-24-14-16)17(13-23)21(28-4-2)25-20(19)15-9-6-5-7-10-15/h5-12,14,18,25H,3-4H2,1-2H3
InChIKey FXKRUHFBWXBHRN-UHFFFAOYSA-N
Molecular Weight 391.489 g/mol
SMILES N1C(=C(C(C(=C1c1ccccc1)C(=O)OCC)c1cnccc1)C#N)SCC
SPLASH splash10-03di-0359000000-595198e45ebd4f6da87f
Wiley ID 1465553