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6-(benzylthio)-N-(4-chlorophenyl)-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
SpectraBase Compound ID 7xBt8iRBw0E
InChI InChI=1S/C25H20ClN3O2S/c1-16-22(24(30)29-19-11-9-18(26)10-12-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-6-3-2-4-7-17/h2-13,23,28H,15H2,1H3,(H,29,30)
InChIKey IRYNRBMHIQPVDZ-UHFFFAOYSA-N
Mol Weight 461.97 g/mol
Molecular Formula C25H20ClN3O2S
Exact Mass 461.096476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P76ty7KyBB
Name 6-(benzylthio)-N-(4-chlorophenyl)-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Alternate Name(s) 6-Benzylsulfanyl-N-(4-chlorophenyl)-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide 6-Benzylsulfanyl-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide N-(4-chlorophenyl)-5-cyano-4-(2-furanyl)-2-methyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide
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Formula C25H20ClN3O2S
InChI InChI=1S/C25H20ClN3O2S/c1-16-22(24(30)29-19-11-9-18(26)10-12-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-6-3-2-4-7-17/h2-13,23,28H,15H2,1H3,(H,29,30)
InChIKey IRYNRBMHIQPVDZ-UHFFFAOYSA-N
Molecular Weight 461.967 g/mol
SMILES N1C(=C(C(Nc2ccc(cc2)Cl)=O)C(C(C#N)=C1SCc1ccccc1)c1occc1)C
SPLASH splash10-006x-8439000000-946ffba8cba42240d08a
Wiley ID 1455032