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5-Methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID KGoD4v12jfz
InChI InChI=1S/C18H13N5O3S/c1-12-20-22(14-5-3-2-4-6-14)18(24)21(12)17-19-16(11-27-17)13-7-9-15(10-8-13)23(25)26/h2-11H,1H3
InChIKey UBDHIHFUTIJTCE-UHFFFAOYSA-N
Mol Weight 379.39 g/mol
Molecular Formula C18H13N5O3S
Exact Mass 379.07391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72ZjVW6Tv42
Name 5-Methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Alternate Name(s) 3-Methyl-4-(4-(4-nitrophenyl)thiazol-2-yl)-1-phenyl-1H-1,2,4-triazol-5(4H)-one 5-Methyl-4-[4-(4-nitrophenyl)-2-thiazolyl]-2-phenyl-1,2,4-triazol-3-one 5-Methyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,2,4-triazol-3-one
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Formula C18H13N5O3S
InChI InChI=1S/C18H13N5O3S/c1-12-20-22(14-5-3-2-4-6-14)18(24)21(12)17-19-16(11-27-17)13-7-9-15(10-8-13)23(25)26/h2-11H,1H3
InChIKey UBDHIHFUTIJTCE-UHFFFAOYSA-N
Molecular Weight 379.394 g/mol
SMILES C1(N(C(=NN1c1ccccc1)C)c1nc(-c2ccc(N(=O)=O)cc2)cs1)=O
SPLASH splash10-0umi-2910000000-73c3e921944030fbd637
Source of Spectrum HC-47-882-1f
Wiley ID 1734157