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5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-triazole-3-thione
SpectraBase Compound ID 3e5gdZtm2fn
InChI InChI=1S/C27H34N4OS/c1-20-10-15-25-23(17-20)9-6-16-30(25)19-31-27(33)29(2)26(28-31)18-32-24-13-11-22(12-14-24)21-7-4-3-5-8-21/h10-15,17,21H,3-9,16,18-19H2,1-2H3
InChIKey UZSXABWYWVZDQH-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C27H34N4OS
Exact Mass 462.245333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K1WN0Epxpy
Name 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N4OS
InChI InChI=1S/C27H34N4OS/c1-20-10-15-25-23(17-20)9-6-16-30(25)19-31-27(33)29(2)26(28-31)18-32-24-13-11-22(12-14-24)21-7-4-3-5-8-21/h10-15,17,21H,3-9,16,18-19H2,1-2H3
InChIKey UZSXABWYWVZDQH-UHFFFAOYSA-N
Molecular Weight 462.656 g/mol
SMILES C1CCC(c2ccc(OCC3=NN(C(N3C)=S)CN3c4c(cc(cc4)C)CCC3)cc2)CC1
SPLASH splash10-004i-1900000000-da6c7fd91a8a70d8f092
Wiley ID 1461000