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3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 1aAjGYqWJ5l
InChI InChI=1S/C15H15BrClN5S/c1-9-14(16)10(2)21(20-9)7-6-13-18-19-15(23)22(13)12-5-3-4-11(17)8-12/h3-5,8H,6-7H2,1-2H3,(H,19,23)
InChIKey SCZOPNKAPCRJIO-UHFFFAOYSA-N
Mol Weight 412.74 g/mol
Molecular Formula C15H15BrClN5S
Exact Mass 410.992007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxTvvHCfGuP
Name 3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 3-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
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Formula C15H15BrClN5S
InChI InChI=1S/C15H15BrClN5S/c1-9-14(16)10(2)21(20-9)7-6-13-18-19-15(23)22(13)12-5-3-4-11(17)8-12/h3-5,8H,6-7H2,1-2H3,(H,19,23)
InChIKey SCZOPNKAPCRJIO-UHFFFAOYSA-N
Molecular Weight 412.737 g/mol
SMILES Sc1[n](c(nn1)CC[n]1c(c(c(n1)C)Br)C)-c1cc(ccc1)Cl
SPLASH splash10-000i-7590000000-3bc6b837a1a3b5421ed5
Wiley ID 1466062