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3-[4-Allyl-5-(4-tert-butyl-benzylsulfanyl)-4H-[1,2,4]triazol-3-yl]-pyridine
SpectraBase Compound ID 7m7NoLjJvkh
InChI InChI=1S/C21H24N4S/c1-5-13-25-19(17-7-6-12-22-14-17)23-24-20(25)26-15-16-8-10-18(11-9-16)21(2,3)4/h5-12,14H,1,13,15H2,2-4H3
InChIKey JNRTXZWLZHNFKL-UHFFFAOYSA-N
Mol Weight 364.51 g/mol
Molecular Formula C21H24N4S
Exact Mass 364.172168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwDswgV21Ux
Name 3-[4-Allyl-5-(4-tert-butyl-benzylsulfanyl)-4H-[1,2,4]triazol-3-yl]-pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N4S
InChI InChI=1S/C21H24N4S/c1-5-13-25-19(17-7-6-12-22-14-17)23-24-20(25)26-15-16-8-10-18(11-9-16)21(2,3)4/h5-12,14H,1,13,15H2,2-4H3
InChIKey JNRTXZWLZHNFKL-UHFFFAOYSA-N
Molecular Weight 364.511 g/mol
SMILES c1cncc(-c2[n](c(nn2)SCc2ccc(C(C)(C)C)cc2)CC=C)c1
SPLASH splash10-0002-2912000000-6ce2a8bba800df1d328c
Synonyms 3-[4-allyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]pyridine 3-[4-allyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine 3-[5-[(4-tert-butylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Wiley ID 1463383