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1-[5'-(3"-Mercaptopropylthio)-3'-(p-bromophenyl)-1H-pyrazol-4'-yl]-1,2,4-triazole
SpectraBase Compound ID IZ9oucdgotK
InChI InChI=1S/C14H14BrN5S2/c15-11-4-2-10(3-5-11)12-13(20-9-16-8-17-20)14(19-18-12)22-7-1-6-21/h2-5,8-9,21H,1,6-7H2,(H,18,19)
InChIKey ZXCHENZLJQNFOD-UHFFFAOYSA-N
Mol Weight 396.33 g/mol
Molecular Formula C14H14BrN5S2
Exact Mass 394.987401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JNy0RO7MW
Name 1-[5'-(3"-Mercaptopropylthio)-3'-(p-bromophenyl)-1H-pyrazol-4'-yl]-1,2,4-triazole
Alternate Name(s) 1-[5'-(3''-Mercaptopropylthio)-3'-(p-bromophenyl)-1H-pyrazol-4'-yl]-1,2,4-triazole 3-{[3-(4-bromophenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}-1-propanethiol 3-{[3-(4-bromophenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl hydrosulfide 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol
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Formula C14H14BrN5S2
InChI InChI=1S/C14H14BrN5S2/c15-11-4-2-10(3-5-11)12-13(20-9-16-8-17-20)14(19-18-12)22-7-1-6-21/h2-5,8-9,21H,1,6-7H2,(H,18,19)
InChIKey ZXCHENZLJQNFOD-UHFFFAOYSA-N
Molecular Weight 396.325 g/mol
SMILES [nH]1nc(c(c1SCCCS)-[n]1ncnc1)-c1ccc(cc1)Br
SPLASH splash10-004m-9003000000-d381658ca97b4055eecd
Source of Spectrum SK-26-3118-3
Wiley ID 867391