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

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N-[4-(aminosulfonyl)phenyl]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID F0QadtLKkPl
InChI InChI=1S/C19H21N5O4S2/c1-3-24-18(13-4-8-15(28-2)9-5-13)22-23-19(24)29-12-17(25)21-14-6-10-16(11-7-14)30(20,26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKey DUZGDSULMSCBFL-UHFFFAOYSA-N
Mol Weight 447.53 g/mol
Molecular Formula C19H21N5O4S2
Exact Mass 447.103497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLdUIdFWoor
Name N-[4-(Aminosulfonyl)phenyl]-2-{[4-ethyl-5-(4-methoxyphenyl)-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 447.103496520 u
Formula C19H21N5O4S2
InChI InChI=1S/C19H21N5O4S2/c1-3-24-18(13-4-8-15(28-2)9-5-13)22-23-19(24)29-12-17(25)21-14-6-10-16(11-7-14)30(20,26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKey DUZGDSULMSCBFL-UHFFFAOYSA-N
Molecular Weight 447.528 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O)C1=CC=C(S(=O)(=O)N)C=C1