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4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-5-[[(4-methoxyphenyl)methyl]thio]-4-phenyl-
SpectraBase Compound ID 2v3miYnsFCZ
InChI InChI=1S/C26H27N3OS/c1-26(2,3)21-14-12-20(13-15-21)24-27-28-25(29(24)22-8-6-5-7-9-22)31-18-19-10-16-23(30-4)17-11-19/h5-17H,18H2,1-4H3
InChIKey RXTKSKCVVISZMV-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C26H27N3OS
Exact Mass 429.187484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrOEZAsa3pT
Name 3-(4-tert-butylphenyl)-5-(p-anisylthio)-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole
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Formula C26H27N3OS
InChI InChI=1S/C26H27N3OS/c1-26(2,3)21-14-12-20(13-15-21)24-27-28-25(29(24)22-8-6-5-7-9-22)31-18-19-10-16-23(30-4)17-11-19/h5-17H,18H2,1-4H3
InChIKey RXTKSKCVVISZMV-UHFFFAOYSA-N
Molecular Weight 429.582 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(cc2)OC)-c2ccc(C(C)(C)C)cc2)cc1
SPLASH splash10-00di-2910000000-85fc687633367ea33e95
Wiley ID 1461078