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2-Benzyl-5-(2-cyanoethylamino)-1,2,4-thiadiazol-3(2H)-one
SpectraBase Compound ID DYGgnleOTon
InChI InChI=1S/C12H12N4OS/c13-7-4-8-14-11-15-12(17)16(18-11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,14,15,17)
InChIKey SLAAMNQABSZTLS-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C12H12N4OS
Exact Mass 260.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nCxftq4WZZ
Name 2-Benzyl-5-(2-cyanoethylamino)-1,2,4-thiadiazol-3(2H)-one
Alternate Name(s) 3-[(2-benzyl-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)amino]propanenitrile
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Formula C12H12N4OS
InChI InChI=1S/C12H12N4OS/c13-7-4-8-14-11-15-12(17)16(18-11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,14,15,17)
InChIKey SLAAMNQABSZTLS-UHFFFAOYSA-N
Molecular Weight 260.315 g/mol
SMILES N(C1=NC(N(Cc2ccccc2)S1)=O)CCC#N
SPLASH splash10-0006-9400000000-22ae07e957a3fd716714
Source of Spectrum F-50-7024-13
Wiley ID 1263317