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5-cyano-6-[(4-fluorobenzyl)sulfanyl]-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID CtQ8MiwQ9AW
InChI InChI=1S/C25H20FN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,23,28H,15H2,1H3,(H,29,30)
InChIKey FPGSMHBIPBSDPR-UHFFFAOYSA-N
Mol Weight 461.57 g/mol
Molecular Formula C25H20FN3OS2
Exact Mass 461.103183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPGqRpCFV6q
Name 5-cyano-6-[(4-fluorobenzyl)thio]-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide
Alternate Name(s) 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide 5-cyano-6-[(4-fluorophenyl)methylthio]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
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Formula C25H20FN3OS2
InChI InChI=1S/C25H20FN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,23,28H,15H2,1H3,(H,29,30)
InChIKey FPGSMHBIPBSDPR-UHFFFAOYSA-N
Molecular Weight 461.573 g/mol
SMILES N1C(=C(C(Nc2ccccc2)=O)C(C(C#N)=C1SCc1ccc(cc1)F)c1sccc1)C
SPLASH splash10-0a4i-5944000000-d38f23c3280fbfa65fca
Wiley ID 1447040