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2-[[3-(4-chlorophenyl)-9-keto-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetonitrile
SpectraBase Compound ID ArI1mC6zQd8
InChI InChI=1S/C17H10ClN5OS/c18-11-5-7-12(8-6-11)22-16-20-14-4-2-1-3-13(14)15(24)23(16)21-17(22)25-10-9-19/h1-8H,10H2
InChIKey HEZXWCKPOOSWFY-UHFFFAOYSA-N
Mol Weight 367.81 g/mol
Molecular Formula C17H10ClN5OS
Exact Mass 367.029459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkUfhIULx1p
Name 2-[[3-(4-chlorophenyl)-9-keto-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetonitrile
Alternate Name(s) 2-[[3-(4-chlorophenyl)-9-oxidanylidene-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]ethanenitrile 2-[[3-(4-chlorophenyl)-9-oxo-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetonitrile 2-[[3-(4-chlorophenyl)-9-oxo-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetonitrile
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Formula C17H10ClN5OS
InChI InChI=1S/C17H10ClN5OS/c18-11-5-7-12(8-6-11)22-16-20-14-4-2-1-3-13(14)15(24)23(16)21-17(22)25-10-9-19/h1-8H,10H2
InChIKey HEZXWCKPOOSWFY-UHFFFAOYSA-N
Molecular Weight 367.814 g/mol
SMILES C12=Nc3ccccc3C(N2N=C(N1c1ccc(cc1)Cl)SCC#N)=O
SPLASH splash10-0v0r-0927000000-8d1288f12b84774df9ef
Source of Spectrum K1-2004-3877-15
Wiley ID 1561558