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acetamide, 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
SpectraBase Compound ID 8iMepikdLie
InChI InChI=1S/C22H16FN5OS3/c1-2-20-27-28-22(32-20)26-19(29)12-31-21-16(11-24)15(13-5-7-14(23)8-6-13)10-17(25-21)18-4-3-9-30-18/h3-10H,2,12H2,1H3,(H,26,28,29)
InChIKey GPSTWXCWTMJTQV-UHFFFAOYSA-N
Mol Weight 481.58 g/mol
Molecular Formula C22H16FN5OS3
Exact Mass 481.050102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zMynUHcOrf
Name Acetamide, 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.050101839 u
Formula C22H16FN5OS3
InChI InChI=1S/C22H16FN5OS3/c1-2-20-27-28-22(32-20)26-19(29)12-31-21-16(11-24)15(13-5-7-14(23)8-6-13)10-17(25-21)18-4-3-9-30-18/h3-10H,2,12H2,1H3,(H,26,28,29)
InChIKey GPSTWXCWTMJTQV-UHFFFAOYSA-N
Molecular Weight 481.582 g/mol
SMILES N(C=1SC(CC)=NN1)C(=O)CSC1=C(C(C=2C=CC(=CC2)F)=CC(=N1)C=1SC=CC1)C#N