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2-[(9-keto-3-phenyl-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio]acetonitrile
SpectraBase Compound ID 3EroIOnbKlI
InChI InChI=1S/C17H11N5OS/c18-10-11-24-17-20-22-15(23)13-8-4-5-9-14(13)19-16(22)21(17)12-6-2-1-3-7-12/h1-9H,11H2
InChIKey KNBVVEMUHTUFFV-UHFFFAOYSA-N
Mol Weight 333.37 g/mol
Molecular Formula C17H11N5OS
Exact Mass 333.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4ZCR3ycofi
Name 2-[(9-keto-3-phenyl-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio]acetonitrile
Alternate Name(s) 2-[(9-oxidanylidene-3-phenyl-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]ethanenitrile 2-[(9-oxo-3-phenyl-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetonitrile 2-[(9-oxo-3-phenyl-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio]acetonitrile
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Formula C17H11N5OS
InChI InChI=1S/C17H11N5OS/c18-10-11-24-17-20-22-15(23)13-8-4-5-9-14(13)19-16(22)21(17)12-6-2-1-3-7-12/h1-9H,11H2
InChIKey KNBVVEMUHTUFFV-UHFFFAOYSA-N
Molecular Weight 333.369 g/mol
SMILES C12=Nc3ccccc3C(N2N=C(N1c1ccccc1)SCC#N)=O
SPLASH splash10-001i-0945000000-cfb988f3a9c9921d9e3b
Source of Spectrum K1-2004-3877-15
Wiley ID 1561565