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4-(N-Benzenesulphonyl-1H-indol-3-yl)-6-(p-chlorophenyl)-pyrimidin-2(1H)-thione
SpectraBase Compound ID 2kcmR5lWVZx
InChI InChI=1S/C24H16ClN3O2S2/c25-17-12-10-16(11-13-17)21-14-22(27-24(31)26-21)20-15-28(23-9-5-4-8-19(20)23)32(29,30)18-6-2-1-3-7-18/h1-15H,(H,26,27,31)
InChIKey GWKSOOUNXYSHPF-UHFFFAOYSA-N
Mol Weight 477.98 g/mol
Molecular Formula C24H16ClN3O2S2
Exact Mass 477.037247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n6jXu1VeDL
Name 4-(N-Benzenesulphonyl-1H-indol-3-yl)-6-(p-chlorophenyl)-pyrimidin-2(1H)-thione
Appearance Solid
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Formula C24H16ClN3O2S2
InChI InChI=1S/C24H16ClN3O2S2/c25-17-12-10-16(11-13-17)21-14-22(27-24(31)26-21)20-15-28(23-9-5-4-8-19(20)23)32(29,30)18-6-2-1-3-7-18/h1-15H,(H,26,27,31)
InChIKey GWKSOOUNXYSHPF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.04.003
Molecular Weight 477.984 g/mol
SMILES N1C(=CC(=NC1=S)c1c[n](S(c2ccccc2)(=O)=O)c2c1cccc2)c1ccc(cc1)Cl
SPLASH splash10-014i-0900100000-6a11c9825b90f5c6999a
Source of Spectrum AJC-6-69-7b
Wiley ID 1856999