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N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide

View entire compound with spectra: 2 NMR

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
SpectraBase Compound ID KDemegt3HzK
InChI InChI=1S/C20H23N5O3S/c1-14(29-20-22-23-24-25(20)16-7-5-4-6-8-16)19(26)21-12-11-15-9-10-17(27-2)18(13-15)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,26)
InChIKey TZUIREANIQUHBX-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C20H23N5O3S
Exact Mass 413.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VQue4ci8M7
Name N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.152160792 u
Formula C20H23N5O3S
InChI InChI=1S/C20H23N5O3S/c1-14(29-20-22-23-24-25(20)16-7-5-4-6-8-16)19(26)21-12-11-15-9-10-17(27-2)18(13-15)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,21,26)
InChIKey TZUIREANIQUHBX-UHFFFAOYSA-N
Molecular Weight 413.496 g/mol
SMILES N(C(C(SC=1N(N=NN1)C=1C=CC=CC1)C)=O)CCC=1C=C(OC)C(=CC1)OC