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2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chlorophenyl)acetamide
SpectraBase Compound ID 3RNHxxItcUj
InChI InChI=1S/C18H18ClN5OS/c1-2-24-17(14-8-3-4-9-15(14)20)22-23-18(24)26-11-16(25)21-13-7-5-6-12(19)10-13/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKey NQHNPSZFIDDJJM-UHFFFAOYSA-N
Mol Weight 387.89 g/mol
Molecular Formula C18H18ClN5OS
Exact Mass 387.092059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4itDQU0hjo
Name 2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chlorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.092059093 u
Formula C18H18ClN5OS
InChI InChI=1S/C18H18ClN5OS/c1-2-24-17(14-8-3-4-9-15(14)20)22-23-18(24)26-11-16(25)21-13-7-5-6-12(19)10-13/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKey NQHNPSZFIDDJJM-UHFFFAOYSA-N
Molecular Weight 387.889 g/mol
SMILES C=1(N(C(SCC(NC2=CC(=CC=C2)Cl)=O)=NN1)CC)C1=C(C=CC=C1)N