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3-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol
SpectraBase Compound ID 6lEsxhqH1q8
InChI InChI=1S/C15H17N5OS2/c1-21-12-5-3-11(4-6-12)13-14(20-10-16-9-17-20)15(19-18-13)23-8-2-7-22/h3-6,9-10,22H,2,7-8H2,1H3,(H,18,19)
InChIKey KYFHBAJHQACIPJ-UHFFFAOYSA-N
Mol Weight 347.45 g/mol
Molecular Formula C15H17N5OS2
Exact Mass 347.087453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPEK7yHqOPl
Name 3-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol
Alternate Name(s) 3-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol 3-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]propane-1-thiol
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Formula C15H17N5OS2
InChI InChI=1S/C15H17N5OS2/c1-21-12-5-3-11(4-6-12)13-14(20-10-16-9-17-20)15(19-18-13)23-8-2-7-22/h3-6,9-10,22H,2,7-8H2,1H3,(H,18,19)
InChIKey KYFHBAJHQACIPJ-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES [nH]1nc(c(c1SCCCS)-[n]1ncnc1)-c1ccc(cc1)OC
SPLASH splash10-0035-9302000000-d0dad0877205d19bda29
Source of Spectrum SK-26-3118-3
Wiley ID 867393