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N-(4-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(4-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ChnegHRirra
InChI InChI=1S/C20H14F2N4OS2/c21-13-3-7-15(8-4-13)23-18(27)12-29-20-25-24-19(17-2-1-11-28-17)26(20)16-9-5-14(22)6-10-16/h1-11H,12H2,(H,23,27)
InChIKey ZNJUOJKDGNEOAA-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C20H14F2N4OS2
Exact Mass 428.05771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLnxAvOZoJY
Name N-(4-Fluorophenyl)-2-{[4-(4-fluorophenyl)-5-(2-thienyl)-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 428.057709760 u
Formula C20H14F2N4OS2
InChI InChI=1S/C20H14F2N4OS2/c21-13-3-7-15(8-4-13)23-18(27)12-29-20-25-24-19(17-2-1-11-28-17)26(20)16-9-5-14(22)6-10-16/h1-11H,12H2,(H,23,27)
InChIKey ZNJUOJKDGNEOAA-UHFFFAOYSA-N
Molecular Weight 428.476 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1SC=CC1)C1=CC=C(C=C1)F)=O)C1=CC=C(C=C1)F