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4-(benzylthio)-3-[[4-(benzylthio)-3-quinolyl]thio]quinoline
SpectraBase Compound ID 7zroitfTFEe
InChI InChI=1S/C32H24N2S3/c1-3-11-23(12-4-1)21-35-31-25-15-7-9-17-27(25)33-19-29(31)37-30-20-34-28-18-10-8-16-26(28)32(30)36-22-24-13-5-2-6-14-24/h1-20H,21-22H2
InChIKey DXGSTMLRHHESFC-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C32H24N2S3
Exact Mass 532.110162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXN9CAszk2d
Name 4-(benzylthio)-3-[[4-(benzylthio)-3-quinolyl]thio]quinoline
Alternate Name(s) 4-(Phenylmethylsulfanyl)-3-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanyl-quinoline 4-(Phenylmethylthio)-3-[[4-(phenylmethylthio)-3-quinolinyl]thio]quinoline 4-Benzylsulfanyl-3-(4-benzylsulfanylquinolin-3-yl)sulfanylquinoline 4-Benzylsulfanyl-3-[(4-benzylsulfanyl-3-quinolyl)sulfanyl]quinoline
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Formula C32H24N2S3
InChI InChI=1S/C32H24N2S3/c1-3-11-23(12-4-1)21-35-31-25-15-7-9-17-27(25)33-19-29(31)37-30-20-34-28-18-10-8-16-26(28)32(30)36-22-24-13-5-2-6-14-24/h1-20H,21-22H2
InChIKey DXGSTMLRHHESFC-UHFFFAOYSA-N
Molecular Weight 532.738 g/mol
SMILES c1(c(Sc2c(c3ccccc3nc2)SCc2ccccc2)cnc2c1cccc2)SCc1ccccc1
SPLASH splash10-06rx-9005670000-db1f0c21d878b511025b
Source of Spectrum Y-29-1601-3
Wiley ID 1403636