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

View entire compound with spectra: 2 NMR

N-[4-(aminosulfonyl)phenyl]-2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 2NTS7rZFVMX
InChI InChI=1S/C23H20ClN5O3S2/c1-15-6-10-17(11-7-15)29-22(19-4-2-3-5-20(19)24)27-28-23(29)33-14-21(30)26-16-8-12-18(13-9-16)34(25,31)32/h2-13H,14H2,1H3,(H,26,30)(H2,25,31,32)
InChIKey HXRJRNXVGJUZFB-UHFFFAOYSA-N
Mol Weight 514.02 g/mol
Molecular Formula C23H20ClN5O3S2
Exact Mass 513.06961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhBU4UkK0ln
Name N-[4-(Aminosulfonyl)phenyl]-2-{[5-(2-chlorophenyl)-4-(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 513.069609569 u
Formula C23H20ClN5O3S2
InChI InChI=1S/C23H20ClN5O3S2/c1-15-6-10-17(11-7-15)29-22(19-4-2-3-5-20(19)24)27-28-23(29)33-14-21(30)26-16-8-12-18(13-9-16)34(25,31)32/h2-13H,14H2,1H3,(H,26,30)(H2,25,31,32)
InChIKey HXRJRNXVGJUZFB-UHFFFAOYSA-N
Molecular Weight 514.018 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=C(C=C1)C)=O)C1=CC=C(S(=O)(=O)N)C=C1