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acetamide, 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-N-(2-iodophenyl)-
SpectraBase Compound ID 86jhdjG4fMS
InChI InChI=1S/C24H15FIN3OS2/c25-16-9-7-15(8-10-16)17-12-21(22-6-3-11-31-22)29-24(18(17)13-27)32-14-23(30)28-20-5-2-1-4-19(20)26/h1-12H,14H2,(H,28,30)
InChIKey VJFOPIZQMPHXSF-UHFFFAOYSA-N
Mol Weight 571.43 g/mol
Molecular Formula C24H15FIN3OS2
Exact Mass 570.968528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aspBfBODXg
Name Acetamide, 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-N-(2-iodophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.968527625 u
Formula C24H15FIN3OS2
InChI InChI=1S/C24H15FIN3OS2/c25-16-9-7-15(8-10-16)17-12-21(22-6-3-11-31-22)29-24(18(17)13-27)32-14-23(30)28-20-5-2-1-4-19(20)26/h1-12H,14H2,(H,28,30)
InChIKey VJFOPIZQMPHXSF-UHFFFAOYSA-N
Molecular Weight 571.427 g/mol
SMILES N(C(CSC1=C(C(=CC(C=2SC=CC2)=N1)C1=CC=C(C=C1)F)C#N)=O)C1=C(I)C=CC=C1