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

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

4-Bromanyl-N-[5-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID 6nu6MqkfAzK
InChI InChI=1S/C19H16BrClN4O3S/c1-24-18(28)15(10-16(26)22-14-4-2-3-13(21)9-14)25(19(24)29)23-17(27)11-5-7-12(20)8-6-11/h2-9,15H,10H2,1H3,(H,22,26)(H,23,27)
InChIKey PKVVPJLAZYETNF-UHFFFAOYSA-N
Mol Weight 495.78 g/mol
Molecular Formula C19H16BrClN4O3S
Exact Mass 493.981502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlZmDzTnAPW
Name 4-Bromanyl-N-[5-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-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 493.981502262 u
Formula C19H16BrClN4O3S
InChI InChI=1S/C19H16BrClN4O3S/c1-24-18(28)15(10-16(26)22-14-4-2-3-13(21)9-14)25(19(24)29)23-17(27)11-5-7-12(20)8-6-11/h2-9,15H,10H2,1H3,(H,22,26)(H,23,27)
InChIKey PKVVPJLAZYETNF-UHFFFAOYSA-N
Molecular Weight 495.779 g/mol
SMILES C=1C=CC(NC(CC2N(C(N(C)C2=O)=S)NC(C=2C=CC(=CC2)Br)=O)=O)=CC1Cl