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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
SpectraBase Compound ID 314sveKonZA
InChI InChI=1S/C23H29N5O3S/c1-5-30-20-10-8-18(14-21(20)31-6-2)11-12-24-22(29)15-32-23-25-26-27-28(23)19-9-7-16(3)13-17(19)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,29)
InChIKey RSWPETPOVWELPA-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C23H29N5O3S
Exact Mass 455.199111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCLx7djHdAd
Name N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.199110985 u
Formula C23H29N5O3S
InChI InChI=1S/C23H29N5O3S/c1-5-30-20-10-8-18(14-21(20)31-6-2)11-12-24-22(29)15-32-23-25-26-27-28(23)19-9-7-16(3)13-17(19)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,29)
InChIKey RSWPETPOVWELPA-UHFFFAOYSA-N
Molecular Weight 455.577 g/mol
SMILES CCOC=1C=CC(=CC1OCC)CCNC(CSC=1N(N=NN1)C=1C(=CC(=CC1)C)C)=O