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3-Pyrazolin-5-one, 2,3-dimethyl-4-(4-nitrophenylthioamino)-1-phenyl-
SpectraBase Compound ID G6HADGeR02J
InChI InChI=1S/C17H16N4O3S/c1-12-16(18-25-15-10-8-14(9-11-15)21(23)24)17(22)20(19(12)2)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKey DTJOJOQNZNRYSW-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C17H16N4O3S
Exact Mass 356.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QU4FUovJYd
Name 3-Pyrazolin-5-one, 2,3-dimethyl-4-(4-nitrophenylthioamino)-1-phenyl-
Alternate Name(s) 1,5-Dimethyl-4-([(4-nitrophenyl)sulfanyl]amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 1,5-Dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenyl-pyrazol-3-one 1,5-Dimethyl-4-[[(4-nitrophenyl)thio]amino]-2-phenyl-3-pyrazolin-3-one N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-nitrobenzenesulfenamide
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Formula C17H16N4O3S
InChI InChI=1S/C17H16N4O3S/c1-12-16(18-25-15-10-8-14(9-11-15)21(23)24)17(22)20(19(12)2)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKey DTJOJOQNZNRYSW-UHFFFAOYSA-N
Molecular Weight 356.400 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)Sc1ccc(N(=O)=O)cc1
SPLASH splash10-0zfr-7494000000-05f4c30cbae6c933ff76
Source of Spectrum AD-0-2532-0
Wiley ID 1425739