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N-(4-fluorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CRnS98bSCSg
InChI InChI=1S/C18H17FN4OS/c1-12-3-5-13(6-4-12)17-21-22-18(23(17)2)25-11-16(24)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,24)
InChIKey GWXJGJSKPLKGFE-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H17FN4OS
Exact Mass 356.110711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZ9p5Ateany
Name N-(4-Fluorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-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 356.110710519 u
Formula C18H17FN4OS
InChI InChI=1S/C18H17FN4OS/c1-12-3-5-13(6-4-12)17-21-22-18(23(17)2)25-11-16(24)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,24)
InChIKey GWXJGJSKPLKGFE-UHFFFAOYSA-N
Molecular Weight 356.419 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C)=O)C=1C=CC(=CC1)F