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

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N-[4-(aminosulfonyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1laW1kSFvRQ
InChI InChI=1S/C24H23N5O4S2/c1-16-4-3-5-17(14-16)23-27-28-24(29(23)19-8-10-20(33-2)11-9-19)34-15-22(30)26-18-6-12-21(13-7-18)35(25,31)32/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKey DXPKKGSTKFXIKS-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C24H23N5O4S2
Exact Mass 509.119147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4a3dthP7aSH
Name N-[4-(Aminosulfonyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(3-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 509.119146585 u
Formula C24H23N5O4S2
InChI InChI=1S/C24H23N5O4S2/c1-16-4-3-5-17(14-16)23-27-28-24(29(23)19-8-10-20(33-2)11-9-19)34-15-22(30)26-18-6-12-21(13-7-18)35(25,31)32/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKey DXPKKGSTKFXIKS-UHFFFAOYSA-N
Molecular Weight 509.599 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C1=CC=C(C=C1)OC)=O)C1=CC=C(S(=O)(=O)N)C=C1