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3-Acetyl-4-benzylthio-6-methyl-1-phenyl-2-[(cyano)(ethoxycarbonyl)methylene]-1,2-dihydropyridine
SpectraBase Compound ID BweY6vXp4tj
InChI InChI=1S/C26H24N2O3S/c1-4-31-26(30)22(16-27)25-24(19(3)29)23(32-17-20-11-7-5-8-12-20)15-18(2)28(25)21-13-9-6-10-14-21/h5-15H,4,17H2,1-3H3/b25-22+
InChIKey NJTJNUJWHCFDFM-YYDJUVGSSA-N
Mol Weight 444.55 g/mol
Molecular Formula C26H24N2O3S
Exact Mass 444.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDh1fn41aa2
Name 3-Acetyl-4-benzylthio-6-methyl-1-phenyl-2-[(cyano)(ethoxycarbonyl)methylene]-1,2-dihydropyridine
Alternate Name(s) Ethyl (2E)-(3-acetyl-4-(benzylsulfanyl)-6-methyl-1-phenyl-2(1H)-pyridinylidene)(cyano)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O3S
InChI InChI=1S/C26H24N2O3S/c1-4-31-26(30)22(16-27)25-24(19(3)29)23(32-17-20-11-7-5-8-12-20)15-18(2)28(25)21-13-9-6-10-14-21/h5-15H,4,17H2,1-3H3/b25-22+
InChIKey NJTJNUJWHCFDFM-YYDJUVGSSA-N
Molecular Weight 444.549 g/mol
SMILES C=1(\C(N(C(=CC1SCc1ccccc1)C)c1ccccc1)=C/(C(=O)OCC)C#N)C(=O)C
SPLASH splash10-0f7o-7169200000-10b1ad8647d85d093216
Source of Spectrum SO-0-302-3
Wiley ID 1539202