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5-Amino-3-methyl-1-[(3'-nitrophenyl)(p-tosylimino)methyl]-1H-pyrazole
SpectraBase Compound ID KGixR1T55A5
InChI InChI=1S/C18H17N5O5S/c1-12-6-8-16(9-7-12)29(26,27)28-21-18(22-17(19)10-13(2)20-22)14-4-3-5-15(11-14)23(24)25/h3-11H,19H2,1-2H3/b21-18-
InChIKey PUDYEFMNSSQIEO-UZYVYHOESA-N
Mol Weight 415.42 g/mol
Molecular Formula C18H17N5O5S
Exact Mass 415.09504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fkSJVNhOzz
Name 5-Amino-3-methyl-1-[(3'-nitrophenyl)(p-tosylimino)methyl]-1H-pyrazole
Alternate Name(s) 3-Methyl-1-[(Z)-({[(4-methylphenyl)sulfonyl]oxy}imino)(3-nitrophenyl)methyl]-1H-pyrazol-5-amine 3-Methyl-1-[(Z)-({[(4-methylphenyl)sulfonyl]oxy}imino)(3-nitrophenyl)methyl]-1H-pyrazol-5-ylamine 4-Methylbenzenesulfonic acid[(Z)-[(5-amino-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino]ester 4-Methylbenzenesulfonic acid[(Z)-[(5-amino-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino]ester [(Z)-[(5-amino-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino]4-methylbenzenesulfonate [(Z)-[(5-amino-3-methylpyrazol-1-yl)-(3-nitrophenyl)methylidene]amino]4-methylbenzenesulfonate [(Z)-[(5-azanyl-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(Z)-[(5-amino-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino] ester [(Z)-[(5-amino-3-methylpyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate [(Z)-[(5-amino-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] 4-methylbenzenesulfonate [(Z)-[(5-azanyl-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate
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Formula C18H17N5O5S
InChI InChI=1S/C18H17N5O5S/c1-12-6-8-16(9-7-12)29(26,27)28-21-18(22-17(19)10-13(2)20-22)14-4-3-5-15(11-14)23(24)25/h3-11H,19H2,1-2H3/b21-18-
InChIKey PUDYEFMNSSQIEO-UZYVYHOESA-N
Molecular Weight 415.424 g/mol
SMILES Nc1[n](\C(=N/OS(c2ccc(cc2)C)(=O)=O)c2cc(N(=O)=O)ccc2)nc(C)c1
SPLASH splash10-0f6t-5900000000-07530a91a31ff5cbb948
Source of Spectrum U-1994-1040-4
Wiley ID 766147