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N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID E0UIRH1WfjI
InChI InChI=1S/C25H23N5O3S/c1-32-21-14-13-17(15-22(21)33-2)16-26-30-23(28-29-25(30)34-3)19-11-7-8-12-20(19)27-24(31)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,27,31)/b26-16+
InChIKey YVJGPFKPYWZSIB-WGOQTCKBSA-N
Mol Weight 473.55 g/mol
Molecular Formula C25H23N5O3S
Exact Mass 473.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cGO8lBHNDX
Name N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CAS Registry Number 106346-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N5O3S
InChI InChI=1S/C25H23N5O3S/c1-32-21-14-13-17(15-22(21)33-2)16-26-30-23(28-29-25(30)34-3)19-11-7-8-12-20(19)27-24(31)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,27,31)/b26-16+
InChIKey YVJGPFKPYWZSIB-WGOQTCKBSA-N
Molecular Weight 473.551 g/mol
SMILES N(C(=O)c1ccccc1)c1c(-c2[n](c(nn2)SC)\N=C\c2cc(OC)c(cc2)OC)cccc1
SPLASH splash10-0a4i-2910000000-37c61d1393108feaaf84
Source of Spectrum Y-23-45-0
Synonyms N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(methylthio)-1,2,4-triazol-3-yl]phenyl]benzamide N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide N-[2-[5-(methylthio)-4-[(E)-veratrylideneamino]-1,2,4-triazol-3-yl]phenyl]benzamide
Wiley ID 1393630