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2-(benzylthio)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID ES4xiWbw3TS
InChI InChI=1S/C22H15ClN4OS/c23-16-10-12-17(13-11-16)26-21-24-19-9-5-4-8-18(19)20(28)27(21)25-22(26)29-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey TZFSYKFVIVRECN-UHFFFAOYSA-N
Mol Weight 418.9 g/mol
Molecular Formula C22H15ClN4OS
Exact Mass 418.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NRFGYJ7Cq
Name 2-(benzylthio)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Alternate Name(s) 2-Benzylsulfanyl-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one 3-(4-Chlorophenyl)-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one 3-(4-Chlorophenyl)-2-(phenylmethylthio)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClN4OS
InChI InChI=1S/C22H15ClN4OS/c23-16-10-12-17(13-11-16)26-21-24-19-9-5-4-8-18(19)20(28)27(21)25-22(26)29-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey TZFSYKFVIVRECN-UHFFFAOYSA-N
Molecular Weight 418.902 g/mol
SMILES C12=Nc3ccccc3C(N2N=C(N1c1ccc(cc1)Cl)SCc1ccccc1)=O
SPLASH splash10-0005-6690000000-51141749b2d1e9ad8482
Source of Spectrum K1-2004-3877-15
Wiley ID 1561559