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3-(4-Chlorophenylamino)methyl-5-(5-methylisoxazol-3-yl)-2-thioxo-1,3,4-oxadiazole
SpectraBase Compound ID L1rkRcOB2b9
InChI InChI=1S/C13H11ClN4O2S/c1-8-6-11(17-20-8)12-16-18(13(21)19-12)7-15-10-4-2-9(14)3-5-10/h2-6,15H,7H2,1H3
InChIKey PFNKBBAUHOLLNS-UHFFFAOYSA-N
Mol Weight 322.77 g/mol
Molecular Formula C13H11ClN4O2S
Exact Mass 322.029124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sVfCdcr4PM
Name 3-(4-Chlorophenylamino)methyl-5-(5-methylisoxazol-3-yl)-2-thioxo-1,3,4-oxadiazole
Alternate Name(s) 3-[(4-chloroanilino)methyl]-5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazole-2(3H)-thione 3-(((4-chlorophenyl)amino)methyl)-5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazole-2(3H)-thione 3-[(4-chloroanilino)methyl]-5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazole-2-thione 3-[(4-chloroanilino)methyl]-5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-thione 3-[[(4-chlorophenyl)amino]methyl]-5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-thione
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Formula C13H11ClN4O2S
InChI InChI=1S/C13H11ClN4O2S/c1-8-6-11(17-20-8)12-16-18(13(21)19-12)7-15-10-4-2-9(14)3-5-10/h2-6,15H,7H2,1H3
InChIKey PFNKBBAUHOLLNS-UHFFFAOYSA-N
Molecular Weight 322.770 g/mol
SMILES N(CN1C(=S)OC(c2cc(C)on2)=N1)c1ccc(cc1)Cl
SPLASH splash10-007x-2900000000-15e9d1b67dd05a4cfffd
Source of Spectrum Y1-41B-2178-3c
Wiley ID 1744105