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1-{[3'-(3"-Mercaptopropylthio)-5'-(p-mercaptophenyl)]-isoxazol-4'-yl}-1,2,4-triazole
SpectraBase Compound ID 9r0KfluY2Y7
InChI InChI=1S/C15H16N4O2S2/c1-20-12-5-3-11(4-6-12)14-13(19-10-16-9-17-19)15(18-21-14)23-8-2-7-22/h3-6,9-10,22H,2,7-8H2,1H3
InChIKey WGOCNKYSKSFCMT-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C15H16N4O2S2
Exact Mass 348.071468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVYFwfP5um5
Name 1-{[3'-(3"-Mercaptopropylthio)-5'-(p-mercaptophenyl)]-isoxazol-4'-yl}-1,2,4-triazole
Alternate Name(s) 1-{[3'-(3''-Mercaptopropylthio)-5'-(p-mercaptophenyl)]-isoxazol-4'-yl}-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O2S2
InChI InChI=1S/C15H16N4O2S2/c1-20-12-5-3-11(4-6-12)14-13(19-10-16-9-17-19)15(18-21-14)23-8-2-7-22/h3-6,9-10,22H,2,7-8H2,1H3
InChIKey WGOCNKYSKSFCMT-UHFFFAOYSA-N
Molecular Weight 348.439 g/mol
SMILES SCCCSc1c(c(on1)-c1ccc(cc1)OC)-[n]1ncnc1
SPLASH splash10-052r-2900000000-8c782709e2e0d6e51ba7
Source of Spectrum SK-26-3119-5c
Wiley ID 867388