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1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-4-amino-3-benzyl5-oxo-4,5-dihydro-[1,2,4]triazole
SpectraBase Compound ID 3ZxoKPso7gH
InChI InChI=1S/C18H17N7OS/c19-25-15(11-13-7-3-1-4-8-13)22-23(18(25)26)12-16-20-21-17(27)24(16)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,21,27)
InChIKey ZITYWWRCNDHZIZ-UHFFFAOYSA-N
Mol Weight 379.44 g/mol
Molecular Formula C18H17N7OS
Exact Mass 379.121529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTYZtOsGy0w
Name 1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-4-amino-3-benzyl5-oxo-4,5-dihydro-[1,2,4]triazole
Alternate Name(s) 1-[(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl]-4-amino-3-benzyl-5-oxo-4,5-dihydro-[1,2,4]triazole 4-Amino-3-benzyl-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-(phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one 4-Amino-5-benzyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one 4-Azanyl-5-(phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one
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Formula C18H17N7OS
InChI InChI=1S/C18H17N7OS/c19-25-15(11-13-7-3-1-4-8-13)22-23(18(25)26)12-16-20-21-17(27)24(16)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,21,27)
InChIKey ZITYWWRCNDHZIZ-UHFFFAOYSA-N
Molecular Weight 379.442 g/mol
SMILES N1C(N(C(CN2C(N(C(=N2)Cc2ccccc2)N)=O)=N1)c1ccccc1)=S
SPLASH splash10-002s-9472000000-5e9e4509487dd50a5f7d
Source of Spectrum EMC-39-802-8d
Wiley ID 1734912