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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
SpectraBase Compound ID 2QBw0GSAVb2
InChI InChI=1S/C24H23N5O3S/c1-24(2,3)17-9-12-20(13-10-17)32-16-21-26-27-23(28(21)18-7-5-4-6-8-18)33-22-14-11-19(15-25-22)29(30)31/h4-15H,16H2,1-3H3
InChIKey YFPYLPGHKFDPSY-UHFFFAOYSA-N
Mol Weight 461.54 g/mol
Molecular Formula C24H23N5O3S
Exact Mass 461.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l4oGI7VhO8
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
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Formula C24H23N5O3S
InChI InChI=1S/C24H23N5O3S/c1-24(2,3)17-9-12-20(13-10-17)32-16-21-26-27-23(28(21)18-7-5-4-6-8-18)33-22-14-11-19(15-25-22)29(30)31/h4-15H,16H2,1-3H3
InChIKey YFPYLPGHKFDPSY-UHFFFAOYSA-N
Molecular Weight 461.540 g/mol
SMILES c1([n](c(COc2ccc(C(C)(C)C)cc2)nn1)-c1ccccc1)Sc1ncc(N(=O)=O)cc1
SPLASH splash10-03di-9824000000-6c22713181a2619166f9
Synonyms 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine
Wiley ID 1447030