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2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID 2ftffMH0SHw
InChI InChI=1S/C20H23N5OS/c1-4-25-19(15-9-5-6-10-16(15)21)23-24-20(25)27-12-18(26)22-17-11-7-8-13(2)14(17)3/h5-11H,4,12,21H2,1-3H3,(H,22,26)
InChIKey BONNNNIBEAERLI-UHFFFAOYSA-N
Mol Weight 381.5 g/mol
Molecular Formula C20H23N5OS
Exact Mass 381.162332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5zyvS4PWFo
Name 2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.162331554 u
Formula C20H23N5OS
InChI InChI=1S/C20H23N5OS/c1-4-25-19(15-9-5-6-10-16(15)21)23-24-20(25)27-12-18(26)22-17-11-7-8-13(2)14(17)3/h5-11H,4,12,21H2,1-3H3,(H,22,26)
InChIKey BONNNNIBEAERLI-UHFFFAOYSA-N
Molecular Weight 381.498 g/mol
SMILES C=1(N(C(SCC(NC2=C(C(=CC=C2)C)C)=O)=NN1)CC)C1=C(C=CC=C1)N