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2-(4-Benzyl-5-cyclopropyl-4H-[1,2,4]triazol- 3-ylsulfanyl)-N-(3-fluorophenyl)acetamide

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2-(4-Benzyl-5-cyclopropyl-4H-[1,2,4]triazol- 3-ylsulfanyl)-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID 74cwrZuLnOE
InChI InChI=1S/C20H19FN4OS/c21-16-7-4-8-17(11-16)22-18(26)13-27-20-24-23-19(15-9-10-15)25(20)12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H,22,26)
InChIKey SZADSQGXILTKLL-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C20H19FN4OS
Exact Mass 382.126361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fqWy2Pggx7
Name 2-(4-Benzyl-5-cyclopropyl-4H-[1,2,4]triazol- 3-ylsulfanyl)-N-(3-fluorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.126360584 u
Formula C20H19FN4OS
InChI InChI=1S/C20H19FN4OS/c21-16-7-4-8-17(11-16)22-18(26)13-27-20-24-23-19(15-9-10-15)25(20)12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H,22,26)
InChIKey SZADSQGXILTKLL-UHFFFAOYSA-N
Molecular Weight 382.457 g/mol
SMILES C=1(N(C(SCC(NC2=CC(=CC=C2)F)=O)=NN1)CC1=CC=CC=C1)C1CC1