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N-(4-(furan-2-yl)-5,6-dimethyl-2-benzoylthiouredopyridin-2-yl)-2-carbonitrile
SpectraBase Compound ID GpNqkkZojui
InChI InChI=1S/C20H16N4O2S/c1-12-13(2)22-18(15(11-21)17(12)16-9-6-10-26-16)23-20(27)24-19(25)14-7-4-3-5-8-14/h3-10H,1-2H3,(H2,22,23,24,25,27)
InChIKey PXSVGUKLQGGNPP-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C20H16N4O2S
Exact Mass 376.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0sXbRmDtbs
Name N-(4-(furan-2-yl)-5,6-dimethyl-2-benzoylthiouredopyridin-2-yl)-2-carbonitrile
Appearance Green crystals
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Formula C20H16N4O2S
InChI InChI=1S/C20H16N4O2S/c1-12-13(2)22-18(15(11-21)17(12)16-9-6-10-26-16)23-20(27)24-19(25)14-7-4-3-5-8-14/h3-10H,1-2H3,(H2,22,23,24,25,27)
InChIKey PXSVGUKLQGGNPP-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3231
Molecular Weight 376.434 g/mol
SMILES N(c1c(c(c(c(n1)C)C)-c1ccco1)C#N)C(NC(c1ccccc1)=O)=S
SPLASH splash10-004i-9182000000-c4c891e6a678103ca3bf
Source of Spectrum Y-55-1938-6
Wiley ID 1879240