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N-(3,5-dichlorophenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ERPRKuUdb9m
InChI InChI=1S/C24H20Cl2N4O3S/c1-32-20-8-6-19(7-9-20)30-23(15-4-3-5-21(10-15)33-2)28-29-24(30)34-14-22(31)27-18-12-16(25)11-17(26)13-18/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey MRRZDJLTQADILY-UHFFFAOYSA-N
Mol Weight 515.42 g/mol
Molecular Formula C24H20Cl2N4O3S
Exact Mass 514.063317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CfBs4VhD8f
Name N-(3,5-Dichlorophenyl)-2-{[5-(3-methoxyphenyl)-4-(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 514.063317091 u
Formula C24H20Cl2N4O3S
InChI InChI=1S/C24H20Cl2N4O3S/c1-32-20-8-6-19(7-9-20)30-23(15-4-3-5-21(10-15)33-2)28-29-24(30)34-14-22(31)27-18-12-16(25)11-17(26)13-18/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey MRRZDJLTQADILY-UHFFFAOYSA-N
Molecular Weight 515.415 g/mol
SMILES N(C=1C=C(Cl)C=C(C1)Cl)C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)C=1C=CC(=CC1)OC)=O