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3-[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]sulfanylpropane-1-thiol
SpectraBase Compound ID 1bP6XnD3Kc0
InChI InChI=1S/C14H13ClN4OS2/c15-11-4-2-10(3-5-11)13-12(19-9-16-8-17-19)14(18-20-13)22-7-1-6-21/h2-5,8-9,21H,1,6-7H2
InChIKey YAODLPMIGVKZSS-UHFFFAOYSA-N
Mol Weight 352.86 g/mol
Molecular Formula C14H13ClN4OS2
Exact Mass 352.021931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A57BOwkRxAW
Name 3-[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]sulfanylpropane-1-thiol
Alternate Name(s) 3-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazol-3-yl]sulfanyl]propane-1-thiol 3-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-3-isoxazolyl]thio]-1-propanethiol 3-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]thio]propane-1-thiol
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Formula C14H13ClN4OS2
InChI InChI=1S/C14H13ClN4OS2/c15-11-4-2-10(3-5-11)13-12(19-9-16-8-17-19)14(18-20-13)22-7-1-6-21/h2-5,8-9,21H,1,6-7H2
InChIKey YAODLPMIGVKZSS-UHFFFAOYSA-N
Molecular Weight 352.858 g/mol
SMILES SCCCSc1c(c(on1)-c1ccc(cc1)Cl)-[n]1ncnc1
SPLASH splash10-002r-5910000000-a4c127272e382991b157
Source of Spectrum SK-26-3119-5
Wiley ID 867389