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4-Methyl-N-[4-(4-methylphenyl)-6-oxidanylidene-1-phenyl-pyrimidin-2-yl]benzenesulfonamide
SpectraBase Compound ID LYqOaOuClEZ
InChI InChI=1S/C24H21N3O3S/c1-17-8-12-19(13-9-17)22-16-23(28)27(20-6-4-3-5-7-20)24(25-22)26-31(29,30)21-14-10-18(2)11-15-21/h3-16H,1-2H3,(H,25,26)
InChIKey BVJDMSKIZBQWFA-UHFFFAOYSA-N
Mol Weight 431.51 g/mol
Molecular Formula C24H21N3O3S
Exact Mass 431.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhuatQBQtEw
Name 4-Methyl-N-[4-(4-methylphenyl)-6-oxidanylidene-1-phenyl-pyrimidin-2-yl]benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 431.130362719 u
Formula C24H21N3O3S
InChI InChI=1S/C24H21N3O3S/c1-17-8-12-19(13-9-17)22-16-23(28)27(20-6-4-3-5-7-20)24(25-22)26-31(29,30)21-14-10-18(2)11-15-21/h3-16H,1-2H3,(H,25,26)
InChIKey BVJDMSKIZBQWFA-UHFFFAOYSA-N
Molecular Weight 431.510 g/mol
SMILES C1(N(\C(NC(=C1)C1=CC=C(C=C1)C)=N\S(C=1C=CC(=CC1)C)(=O)=O)C=1C=CC=CC1)=O