3-[5-phenyl-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]sulfanylpropane-1-thiol

SpectraBase Compound ID	1AOCo0AUZOo
InChI	InChI=1S/C14H14N4OS2/c20-7-4-8-21-14-12(18-10-15-9-16-18)13(19-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2
InChIKey	YAOAXAWCMCMVTL-UHFFFAOYSA-N Google Search
Mol Weight	318.41 g/mol
Molecular Formula	C14H14N4OS2
Exact Mass	318.060903 g/mol

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SpectraBase Spectrum ID	FiKJQO6pNZi
Name	3-[5-phenyl-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]sulfanylpropane-1-thiol
Alternate Name(s)	3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1,2-oxazol-3-yl]sulfanyl]propane-1-thiol 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-3-isoxazolyl]thio]-1-propanethiol 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]thio]propane-1-thiol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H14N4OS2
InChI	InChI=1S/C14H14N4OS2/c20-7-4-8-21-14-12(18-10-15-9-16-18)13(19-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2
InChIKey	YAOAXAWCMCMVTL-UHFFFAOYSA-N
Molecular Weight	318.413 g/mol
SMILES	SCCCSc1c(c(on1)-c1ccccc1)-[n]1ncnc1
SPLASH	splash10-0a4i-8910000000-64007e88dfb7d5285587
Source of Spectrum	SK-26-3119-5
Wiley ID	867390