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2-{[-4-Benzyl-5-(3-pyridyl)-4H-1,2,4-triazole-3-ylthio]-N(2)[1-methyl-3-oxobutylidene]} acetohydrazine
SpectraBase Compound ID 8316z0oArKY
InChI InChI=1S/C21H22N6O2S/c1-15(11-16(2)28)23-24-19(29)14-30-21-26-25-20(18-9-6-10-22-12-18)27(21)13-17-7-4-3-5-8-17/h3-10,12H,11,13-14H2,1-2H3,(H,24,29)/b23-15+
InChIKey WKJFKANEKTUMRQ-HZHRSRAPSA-N
Mol Weight 422.51 g/mol
Molecular Formula C21H22N6O2S
Exact Mass 422.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eL6pSqB7d6
Name 2-{[-4-Benzyl-5-(3-pyridyl)-4H-1,2,4-triazole-3-ylthio]-N(2)[1-methyl-3-oxobutylidene]} acetohydrazine
Alternate Name(s) N-[(E)-4-oxopentan-2-ylideneamino]-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-4-oxopentan-2-ylideneamino]acetamide 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methyl-3-oxo-butylidene)amino]acetamide N-[(E)-4-oxidanylidenepentan-2-ylideneamino]-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
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Formula C21H22N6O2S
InChI InChI=1S/C21H22N6O2S/c1-15(11-16(2)28)23-24-19(29)14-30-21-26-25-20(18-9-6-10-22-12-18)27(21)13-17-7-4-3-5-8-17/h3-10,12H,11,13-14H2,1-2H3,(H,24,29)/b23-15+
InChIKey WKJFKANEKTUMRQ-HZHRSRAPSA-N
Molecular Weight 422.507 g/mol
SMILES N(\N=C\(CC(=O)C)C)C(CSc1[n](c(nn1)-c1cnccc1)Cc1ccccc1)=O
SPLASH splash10-00lr-1092000000-991f752a5c052737e85f
Source of Spectrum Y-48-1369-4b
Wiley ID 1704630