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2-Benzyl-5-(3-cyanopropylamino)-1,2,4-thiadiazol-3(2H)-one
SpectraBase Compound ID BlQ1TYJJeai
InChI InChI=1S/C13H14N4OS/c14-8-4-5-9-15-12-16-13(18)17(19-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2,(H,15,16,18)
InChIKey XZELBXPBKSVPQW-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C13H14N4OS
Exact Mass 274.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49np6Z5s3Px
Name 2-Benzyl-5-(3-cyanopropylamino)-1,2,4-thiadiazol-3(2H)-one
Alternate Name(s) 4-[(2-benzyl-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)amino]butanenitrile
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Formula C13H14N4OS
InChI InChI=1S/C13H14N4OS/c14-8-4-5-9-15-12-16-13(18)17(19-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2,(H,15,16,18)
InChIKey XZELBXPBKSVPQW-UHFFFAOYSA-N
Molecular Weight 274.342 g/mol
SMILES N(C1=NC(N(Cc2ccccc2)S1)=O)CCCC#N
SPLASH splash10-01bc-1940000000-0355b8d057828dda3f34
Source of Spectrum F-50-7025-13
Wiley ID 1277823