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N1-{4-[p-(diethylamino)phenylimino]-5-oxo-1-phenyl-2-pyrazolin-3-yl}sulfanilamide
SpectraBase Compound ID 70s05S22b7B
InChI InChI=1S/C25H26N6O3S/c1-3-30(4-2)20-14-12-19(13-15-20)27-23-24(28-31(25(23)32)21-8-6-5-7-9-21)29-35(33,34)22-16-10-18(26)11-17-22/h5-17H,3-4,26H2,1-2H3,(H,28,29)/b27-23-
InChIKey GRCIIPGMOBRCIZ-VYIQYICTSA-N
Mol Weight 490.58 g/mol
Molecular Formula C25H26N6O3S
Exact Mass 490.17871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pbCMHUXNd4
Name N1-{4-[p-(Diethylamino)phenylimino]-5-oxo-1-phenyl-2-pyrazolin-3-yl}sulfanilamide
Comments Computed using HOSE algorithm
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Exact Mass 490.178709892 u
Formula C25H26N6O3S
InChI InChI=1S/C25H26N6O3S/c1-3-30(4-2)20-14-12-19(13-15-20)27-23-24(28-31(25(23)32)21-8-6-5-7-9-21)29-35(33,34)22-16-10-18(26)11-17-22/h5-17H,3-4,26H2,1-2H3,(H,28,29)/b27-23-
InChIKey GRCIIPGMOBRCIZ-VYIQYICTSA-N
Molecular Weight 490.582 g/mol
SMILES N(C=1\C(C(N(N1)C1=CC=CC=C1)=O)=N\C=1C=CC(=CC1)N(CC)CC)S(C=1C=CC(=CC1)N)(=O)=O