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N-(4-acetyl-5-(1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID 1r4XTtnR8hw
InChI InChI=1S/C17H20N6O3S/c1-10-15(19-21-22(10)13-6-8-14(26-5)9-7-13)17(4)23(12(3)25)20-16(27-17)18-11(2)24/h6-9H,1-5H3,(H,18,20,24)
InChIKey WQXPJLPNOJLFCV-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C17H20N6O3S
Exact Mass 388.13176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qe23blqQjw
Name N-(4-Acetyl-5-(1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.131759699 u
Formula C17H20N6O3S
InChI InChI=1S/C17H20N6O3S/c1-10-15(19-21-22(10)13-6-8-14(26-5)9-7-13)17(4)23(12(3)25)20-16(27-17)18-11(2)24/h6-9H,1-5H3,(H,18,20,24)
InChIKey WQXPJLPNOJLFCV-UHFFFAOYSA-N
Molecular Weight 388.446 g/mol
SMILES C1(C)(SC(=NN1C(=O)C)NC(C)=O)C=1N=NN(C1C)C1=CC=C(C=C1)OC