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4H-1,2,4-triazole, 3-[[(2-chlorophenyl)methyl]thio]-5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-
SpectraBase Compound ID 1MTdIbgmQ9I
InChI InChI=1S/C25H24ClN3S/c1-25(2,3)20-15-13-18(14-16-20)23-27-28-24(29(23)21-10-5-4-6-11-21)30-17-19-9-7-8-12-22(19)26/h4-16H,17H2,1-3H3
InChIKey YIIMSBPIZSKDET-UHFFFAOYSA-N
Mol Weight 434.0 g/mol
Molecular Formula C25H24ClN3S
Exact Mass 433.137947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9cSwt1htbc
Name 3-(4-tert-butylphenyl)-5-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazole
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Formula C25H24ClN3S
InChI InChI=1S/C25H24ClN3S/c1-25(2,3)20-15-13-18(14-16-20)23-27-28-24(29(23)21-10-5-4-6-11-21)30-17-19-9-7-8-12-22(19)26/h4-16H,17H2,1-3H3
InChIKey YIIMSBPIZSKDET-UHFFFAOYSA-N
Molecular Weight 434.001 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(Cl)cccc2)-c2ccc(C(C)(C)C)cc2)cc1
SPLASH splash10-002b-7849000000-a93c26386301e9eb4cdd
Synonyms 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazole
Wiley ID 1461040