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N-[4-(aminosulfonyl)phenyl]-2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-[4-(aminosulfonyl)phenyl]-2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JGIASlw7X1s
InChI InChI=1S/C24H23N5O3S2/c1-16-3-7-18(8-4-16)23-27-28-24(29(23)20-11-5-17(2)6-12-20)33-15-22(30)26-19-9-13-21(14-10-19)34(25,31)32/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKey DOISEPGOMGCODM-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C24H23N5O3S2
Exact Mass 493.124232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUszkhHrpt4
Name N-[4-(Aminosulfonyl)phenyl]-2-{[4,5-bis(4-methylphenyl)-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 493.124231966 u
Formula C24H23N5O3S2
InChI InChI=1S/C24H23N5O3S2/c1-16-3-7-18(8-4-16)23-27-28-24(29(23)20-11-5-17(2)6-12-20)33-15-22(30)26-19-9-13-21(14-10-19)34(25,31)32/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKey DOISEPGOMGCODM-UHFFFAOYSA-N
Molecular Weight 493.600 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)=O)C1=CC=C(S(=O)(=O)N)C=C1