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N-[4-(aminosulfonyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GNewIzCN5yH
InChI InChI=1S/C22H27N5O3S2/c1-5-27-20(15-6-8-16(9-7-15)22(2,3)4)25-26-21(27)31-14-19(28)24-17-10-12-18(13-11-17)32(23,29)30/h6-13H,5,14H2,1-4H3,(H,24,28)(H2,23,29,30)
InChIKey ZIPYQBOHYGJRQY-UHFFFAOYSA-N
Mol Weight 473.61 g/mol
Molecular Formula C22H27N5O3S2
Exact Mass 473.155532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap9XwktGSs2
Name N-[4-(Aminosulfonyl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.155532094 u
Formula C22H27N5O3S2
InChI InChI=1S/C22H27N5O3S2/c1-5-27-20(15-6-8-16(9-7-15)22(2,3)4)25-26-21(27)31-14-19(28)24-17-10-12-18(13-11-17)32(23,29)30/h6-13H,5,14H2,1-4H3,(H,24,28)(H2,23,29,30)
InChIKey ZIPYQBOHYGJRQY-UHFFFAOYSA-N
Molecular Weight 473.610 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)CC)=O)C1=CC=C(S(=O)(=O)N)C=C1