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4-Chloranyl-N-[3-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Chloranyl-N-[3-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID 7UkwRTnIbeN
InChI InChI=1S/C24H17ClF2N4O3S/c25-15-3-1-14(2-4-15)22(33)29-31-20(13-21(32)28-18-9-5-16(26)6-10-18)23(34)30(24(31)35)19-11-7-17(27)8-12-19/h1-12,20H,13H2,(H,28,32)(H,29,33)
InChIKey AFGOHOQIMCRPFO-UHFFFAOYSA-N
Mol Weight 514.93 g/mol
Molecular Formula C24H17ClF2N4O3S
Exact Mass 514.067796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7l5SvgTTDXF
Name 4-Chloranyl-N-[3-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.067795620 u
Formula C24H17ClF2N4O3S
InChI InChI=1S/C24H17ClF2N4O3S/c25-15-3-1-14(2-4-15)22(33)29-31-20(13-21(32)28-18-9-5-16(26)6-10-18)23(34)30(24(31)35)19-11-7-17(27)8-12-19/h1-12,20H,13H2,(H,28,32)(H,29,33)
InChIKey AFGOHOQIMCRPFO-UHFFFAOYSA-N
Molecular Weight 514.935 g/mol
SMILES C1(N(C(=O)C(N1NC(C=1C=CC(=CC1)Cl)=O)CC(NC1=CC=C(C=C1)F)=O)C1=CC=C(C=C1)F)=S