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5-Acetamido-3-methyl-1-[(3'-nitrophenyl)(p-tosylimino)methyl]-1H-pyrazole
SpectraBase Compound ID IYJfPjP26wT
InChI InChI=1S/C20H19N5O6S/c1-13-7-9-18(10-8-13)32(29,30)31-23-20(16-5-4-6-17(12-16)25(27)28)24-19(21-15(3)26)11-14(2)22-24/h4-12H,1-3H3,(H,21,26)/b23-20-
InChIKey JLVHXPBMDJTOKK-ATJXCDBQSA-N
Mol Weight 457.46 g/mol
Molecular Formula C20H19N5O6S
Exact Mass 457.105605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA0NX3AQx2U
Name 5-Acetamido-3-methyl-1-[(3'-nitrophenyl)(p-tosylimino)methyl]-1H-pyrazole
Alternate Name(s) 4-Methylbenzenesulfonic acid[(Z)-[(5-acetamido-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino]ester 4-Methylbenzenesulfonic acid[(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino]ester N-{3-methyl-1-[(Z)-({[(4-methylphenyl)sulfonyl]oxy}imino)(3-nitrophenyl)methyl]-1H-pyrazol-5-yl}acetamide [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino]4-methylbenzenesulfonate [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(Z)-[(5-acetamido-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino] ester [(Z)-[(5-acetamido-3-methylpyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] 4-methylbenzenesulfonate [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate
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Formula C20H19N5O6S
InChI InChI=1S/C20H19N5O6S/c1-13-7-9-18(10-8-13)32(29,30)31-23-20(16-5-4-6-17(12-16)25(27)28)24-19(21-15(3)26)11-14(2)22-24/h4-12H,1-3H3,(H,21,26)/b23-20-
InChIKey JLVHXPBMDJTOKK-ATJXCDBQSA-N
Molecular Weight 457.461 g/mol
SMILES N(c1[n](\C(=N/OS(c2ccc(cc2)C)(=O)=O)c2cc(N(=O)=O)ccc2)nc(C)c1)C(=O)C
SPLASH splash10-014l-2020900000-660f0db6b673573936bb
Source of Spectrum U-1994-1041-5
Wiley ID 766142