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2-Amino-1-(4-chlorophenyl)-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
SpectraBase Compound ID KOa0XqlbW9S
InChI InChI=1S/C25H24ClN3OS/c1-25(2)12-20-23(21(30)13-25)22(15-4-10-18(31-3)11-5-15)19(14-27)24(28)29(20)17-8-6-16(26)7-9-17/h4-11,22H,12-13,28H2,1-3H3
InChIKey XJEKSAJLLMOIBD-UHFFFAOYSA-N
Mol Weight 450.0 g/mol
Molecular Formula C25H24ClN3OS
Exact Mass 449.132861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfToWeg3qB8
Name 2-Amino-1-(4-chlorophenyl)-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Alternate Name(s) 2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Azanyl-1-(4-chlorophenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
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Formula C25H24ClN3OS
InChI InChI=1S/C25H24ClN3OS/c1-25(2)12-20-23(21(30)13-25)22(15-4-10-18(31-3)11-5-15)19(14-27)24(28)29(20)17-8-6-16(26)7-9-17/h4-11,22H,12-13,28H2,1-3H3
InChIKey XJEKSAJLLMOIBD-UHFFFAOYSA-N
Molecular Weight 450.000 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)N1c1ccc(cc1)Cl)c1ccc(cc1)SC)C#N
SPLASH splash10-004i-1549300000-22bb8e4cb65c87caabe3
Wiley ID 1459826