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N-Benzyl-2-([5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl)acetamide

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N-Benzyl-2-([5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl)acetamide
SpectraBase Compound ID 5cXvLMK0iCf
InChI InChI=1S/C23H19FN4OS/c24-19-11-7-10-18(14-19)22-26-27-23(28(22)20-12-5-2-6-13-20)30-16-21(29)25-15-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,25,29)
InChIKey UHCXNRUZSZZNHX-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C23H19FN4OS
Exact Mass 418.126361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5t4WU1bYRid
Name N-Benzyl-2-([5-(3-fluorophenyl)-4-phenyl-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 418.126360584 u
Formula C23H19FN4OS
InChI InChI=1S/C23H19FN4OS/c24-19-11-7-10-18(14-19)22-26-27-23(28(22)20-12-5-2-6-13-20)30-16-21(29)25-15-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,25,29)
InChIKey UHCXNRUZSZZNHX-UHFFFAOYSA-N
Molecular Weight 418.490 g/mol
SMILES C1=CC=C(C=C1)CNC(CSC=1N(C(=NN1)C1=CC(F)=CC=C1)C=1C=CC=CC1)=O