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3-(3-benzylsulfanylquinolin-4-yl)sulfanyl-1H-quinolin-4-one
SpectraBase Compound ID HyhqvPaBiY
InChI InChI=1S/C25H18N2OS2/c28-24-18-10-4-6-12-20(18)26-14-22(24)30-25-19-11-5-7-13-21(19)27-15-23(25)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,26,28)
InChIKey XVISLEBRTGNOMZ-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C25H18N2OS2
Exact Mass 426.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CEzyWavyQY
Name 3-(3-benzylsulfanylquinolin-4-yl)sulfanyl-1H-quinolin-4-one
Alternate Name(s) 3-[(3-benzylsulfanyl-4-quinolyl)sulfanyl]-1H-quinolin-4-one 3-[3-(phenylmethylsulfanyl)quinolin-4-yl]sulfanyl-1H-quinolin-4-one 3-[[3-(benzylthio)-4-quinolyl]thio]-4-quinolone 3-[[3-(phenylmethylthio)-4-quinolinyl]thio]-1H-quinolin-4-one
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Formula C25H18N2OS2
InChI InChI=1S/C25H18N2OS2/c28-24-18-10-4-6-12-20(18)26-14-22(24)30-25-19-11-5-7-13-21(19)27-15-23(25)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,26,28)
InChIKey XVISLEBRTGNOMZ-UHFFFAOYSA-N
Molecular Weight 426.552 g/mol
SMILES N1c2ccccc2C(C(=C1)Sc1c2c(cccc2)ncc1SCc1ccccc1)=O
SPLASH splash10-0ufr-0009400000-0e0b9e990354db1c3568
Source of Spectrum Y-30-1626-3
Wiley ID 761314