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N'-[(E)-(5-methyl-2-furyl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID KdkvLttdnHo
InChI InChI=1S/C11H13N5O2S/c1-8-3-4-9(18-8)5-12-14-10(17)6-19-11-15-13-7-16(11)2/h3-5,7H,6H2,1-2H3,(H,14,17)/b12-5+
InChIKey SSSHIMXWTZMRMR-LFYBBSHMSA-N
Mol Weight 279.32 g/mol
Molecular Formula C11H13N5O2S
Exact Mass 279.078996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EZf72xIlfv
Name N'-[(E)-(5-methyl-2-furyl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 279.078995851 u
Formula C11H13N5O2S
InChI InChI=1S/C11H13N5O2S/c1-8-3-4-9(18-8)5-12-14-10(17)6-19-11-15-13-7-16(11)2/h3-5,7H,6H2,1-2H3,(H,14,17)/b12-5+
InChIKey SSSHIMXWTZMRMR-LFYBBSHMSA-N
SMILES N(\N=C\C=1OC(C)=CC1)C(CSC=1N(C=NN1)C)=O