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1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-4-amino-3-methyl-5-oxo-4,5-dihydro-[1,2,4]triazole
SpectraBase Compound ID CpyDf7FC7cG
InChI InChI=1S/C12H13N7OS/c1-8-16-17(12(20)19(8)13)7-10-14-15-11(21)18(10)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,15,21)
InChIKey NJZPATYWQALLJZ-UHFFFAOYSA-N
Mol Weight 303.34 g/mol
Molecular Formula C12H13N7OS
Exact Mass 303.090229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oZg8xtHXxo
Name 1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-4-amino-3-methyl-5-oxo-4,5-dihydro-[1,2,4]triazole
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Formula C12H13N7OS
InChI InChI=1S/C12H13N7OS/c1-8-16-17(12(20)19(8)13)7-10-14-15-11(21)18(10)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,15,21)
InChIKey NJZPATYWQALLJZ-UHFFFAOYSA-N
Molecular Weight 303.344 g/mol
SMILES N1C(N(C(CN2C(N(C(=N2)C)N)=O)=N1)c1ccccc1)=S
SPLASH splash10-0k92-3390000000-be5d69e2646a3ab01f69
Source of Spectrum EMC-39-802-8a
Synonyms 1-[(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl]-4-amino-3-methyl-5-oxo-4,5-dihydro-[1,2,4]triazole 4-Amino-3-methyl-1-((4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one 4-Amino-5-methyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one 4-Azanyl-5-methyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one
Wiley ID 1734914