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N-[4-(aminosulfonyl)phenyl]-2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KIxuYMtxGW8
InChI InChI=1S/C18H18ClN5O3S2/c1-2-24-17(14-5-3-4-6-15(14)19)22-23-18(24)28-11-16(25)21-12-7-9-13(10-8-12)29(20,26)27/h3-10H,2,11H2,1H3,(H,21,25)(H2,20,26,27)
InChIKey YXGJCNHQWKDIBX-UHFFFAOYSA-N
Mol Weight 451.95 g/mol
Molecular Formula C18H18ClN5O3S2
Exact Mass 451.05396 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iB1pfMNWak
Name N-[4-(Aminosulfonyl)phenyl]-2-{[5-(2-chlorophenyl)-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 451.053959505 u
Formula C18H18ClN5O3S2
InChI InChI=1S/C18H18ClN5O3S2/c1-2-24-17(14-5-3-4-6-15(14)19)22-23-18(24)28-11-16(25)21-12-7-9-13(10-8-12)29(20,26)27/h3-10H,2,11H2,1H3,(H,21,25)(H2,20,26,27)
InChIKey YXGJCNHQWKDIBX-UHFFFAOYSA-N
Molecular Weight 451.947 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC)=O)C1=CC=C(S(=O)(=O)N)C=C1
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