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N4-(4-Chlorobenzoyl)-N1-(5-methylisoxazol-3-formyl)thiosemicarbazide
SpectraBase Compound ID CS1XPNLRxny
InChI InChI=1S/C13H11ClN4O3S/c1-7-6-10(18-21-7)12(20)16-17-13(22)15-11(19)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,20)(H2,15,17,19,22)
InChIKey LUGMIYGXAOCBQX-UHFFFAOYSA-N
Mol Weight 338.77 g/mol
Molecular Formula C13H11ClN4O3S
Exact Mass 338.024039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMOnmmG93dU
Name N4-(4-Chlorobenzoyl)-N1-(5-methylisoxazol-3-formyl)thiosemicarbazide
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Formula C13H11ClN4O3S
InChI InChI=1S/C13H11ClN4O3S/c1-7-6-10(18-21-7)12(20)16-17-13(22)15-11(19)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,20)(H2,15,17,19,22)
InChIKey LUGMIYGXAOCBQX-UHFFFAOYSA-N
Molecular Weight 338.769 g/mol
SMILES N(C(c1noc(c1)C)=O)NC(NC(c1ccc(cc1)Cl)=O)=S
SPLASH splash10-000i-2900000000-ee80f0aa46620eb60d36
Source of Spectrum Y1-38-1068-2
Synonyms 4-Chloro-N-[[[(5-methyl-3-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide 4-Chloro-N-(2-(5-methylisoxazole-3-carbonyl)hydrazinecarbonothioyl)benzamide 4-Chloro-N-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]carbamothioyl]benzamide 4-Chloro-N-[[(5-methylisoxazole-3-carbonyl)amino]carbamothioyl]benzamide 4-Chloranyl-N-[[(5-methyl-1,2-oxazol-3-yl)carbonylamino]carbamothioyl]benzamide
Wiley ID 1527801