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2-(butylthio)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID Li3hwT3Qtz7
InChI InChI=1S/C19H17ClN4OS/c1-2-3-12-26-19-22-24-17(25)15-6-4-5-7-16(15)21-18(24)23(19)14-10-8-13(20)9-11-14/h4-11H,2-3,12H2,1H3
InChIKey ZPPYJIANDHJEQG-UHFFFAOYSA-N
Mol Weight 384.89 g/mol
Molecular Formula C19H17ClN4OS
Exact Mass 384.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Axa5QpbI3x
Name 2-(butylthio)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Alternate Name(s) 2-Butylsulfanyl-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClN4OS
InChI InChI=1S/C19H17ClN4OS/c1-2-3-12-26-19-22-24-17(25)15-6-4-5-7-16(15)21-18(24)23(19)14-10-8-13(20)9-11-14/h4-11H,2-3,12H2,1H3
InChIKey ZPPYJIANDHJEQG-UHFFFAOYSA-N
Molecular Weight 384.885 g/mol
SMILES C12=Nc3ccccc3C(N2N=C(N1c1ccc(cc1)Cl)SCCCC)=O
SPLASH splash10-0fa9-0239000000-a38cabe590ce89eb0579
Source of Spectrum K1-2004-3877-15
Wiley ID 1561560