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Acetamide, N-[2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-
SpectraBase Compound ID ItHTNapOers
InChI InChI=1S/C22H21ClF2N4O2S/c1-12-8-13(2)28-21(18(12)10-26)32-11-20(30)27-7-6-16-14(3)29-19-5-4-15(9-17(16)19)31-22(23,24)25/h4-5,8-9,29H,6-7,11H2,1-3H3,(H,27,30)
InChIKey GIJKGCOHSJOQRE-UHFFFAOYSA-N
Mol Weight 478.95 g/mol
Molecular Formula C22H21ClF2N4O2S
Exact Mass 478.104181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0HXfV8p7f4
Name Acetamide, N-[2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.104181130 u
Formula C22H21ClF2N4O2S
InChI InChI=1S/C22H21ClF2N4O2S/c1-12-8-13(2)28-21(18(12)10-26)32-11-20(30)27-7-6-16-14(3)29-19-5-4-15(9-17(16)19)31-22(23,24)25/h4-5,8-9,29H,6-7,11H2,1-3H3,(H,27,30)
InChIKey GIJKGCOHSJOQRE-UHFFFAOYSA-N
Molecular Weight 478.946 g/mol
SMILES CC=1N=C(C(=C(C)C1)C#N)SCC(NCCC1=C(NC2=C1C=C(OC(Cl)(F)F)C=C2)C)=O