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

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

3-Fluoranyl-N-[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID 9dbNWNQNMds
InChI InChI=1S/C19H16F2N4O3S/c1-24-18(28)15(10-16(26)22-14-7-5-12(20)6-8-14)25(19(24)29)23-17(27)11-3-2-4-13(21)9-11/h2-9,15H,10H2,1H3,(H,22,26)(H,23,27)
InChIKey SEZMIVVJVCWHTI-UHFFFAOYSA-N
Mol Weight 418.42 g/mol
Molecular Formula C19H16F2N4O3S
Exact Mass 418.091118 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5zAFtMxlCVr
Name 3-Fluoranyl-N-[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.091117888 u
Formula C19H16F2N4O3S
InChI InChI=1S/C19H16F2N4O3S/c1-24-18(28)15(10-16(26)22-14-7-5-12(20)6-8-14)25(19(24)29)23-17(27)11-3-2-4-13(21)9-11/h2-9,15H,10H2,1H3,(H,22,26)(H,23,27)
InChIKey SEZMIVVJVCWHTI-UHFFFAOYSA-N
Molecular Weight 418.419 g/mol
SMILES C1=CC=C(C(NN2C(N(C)C(C2CC(NC=2C=CC(=CC2)F)=O)=O)=S)=O)C=C1F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851674