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Benzonitrile, 3-[[[5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID HmseUbda8GL
InChI InChI=1S/C24H20N4OS/c25-16-18-7-6-8-19(15-18)17-30-24-27-26-23(28(24)21-10-2-1-3-11-21)14-13-20-9-4-5-12-22(20)29/h1-12,15,29H,13-14,17H2
InChIKey BXWAOVCBBPOSTP-UHFFFAOYSA-N
Mol Weight 412.51 g/mol
Molecular Formula C24H20N4OS
Exact Mass 412.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0KJDYR1hHN
Name Benzonitrile, 3-[[[5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
Alternate Name(s) 3-[[5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 3-[[5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N4OS
InChI InChI=1S/C24H20N4OS/c25-16-18-7-6-8-19(15-18)17-30-24-27-26-23(28(24)21-10-2-1-3-11-21)14-13-20-9-4-5-12-22(20)29/h1-12,15,29H,13-14,17H2
InChIKey BXWAOVCBBPOSTP-UHFFFAOYSA-N
Molecular Weight 412.511 g/mol
SMILES Oc1c(CCc2nnc([n]2-c2ccccc2)SCc2cc(C#N)ccc2)cccc1
SPLASH splash10-056r-8900100000-4790ecb9aa1421f5f768
Source of Spectrum IY-1-4631-0
Wiley ID 1654293