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3-(4-benzylsulfanylquinolin-3-yl)sulfanyl-4-methylsulfanylquinoline
SpectraBase Compound ID 1vNEYNZLBll
InChI InChI=1S/C26H20N2S3/c1-29-25-19-11-5-7-13-21(19)27-15-23(25)31-24-16-28-22-14-8-6-12-20(22)26(24)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKey BWBMDAIOTRKRNS-UHFFFAOYSA-N
Mol Weight 456.64 g/mol
Molecular Formula C26H20N2S3
Exact Mass 456.078862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKEJ6N9kcOT
Name 3-(4-benzylsulfanylquinolin-3-yl)sulfanyl-4-methylsulfanylquinoline
Alternate Name(s) 3-(4-Methylsulfanylquinolin-3-yl)sulfanyl-4-(phenylmethylsulfanyl)quinoline 3-[(4-benzylsulfanyl-3-quinolyl)sulfanyl]-4-methylsulfanyl-quinoline 3-[[4-(benzylthio)-3-quinolyl]thio]-4-(methylthio)quinoline 3-[[4-(methylthio)-3-quinolinyl]thio]-4-(phenylmethylthio)quinoline
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Formula C26H20N2S3
InChI InChI=1S/C26H20N2S3/c1-29-25-19-11-5-7-13-21(19)27-15-23(25)31-24-16-28-22-14-8-6-12-20(22)26(24)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKey BWBMDAIOTRKRNS-UHFFFAOYSA-N
Molecular Weight 456.640 g/mol
SMILES c1(c(Sc2c(c3ccccc3nc2)SC)cnc2c1cccc2)SCc1ccccc1
SPLASH splash10-0aor-0009700000-0aa9b3bbacbbd16bd25a
Source of Spectrum Y-32-1252-3
Wiley ID 1389321