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4-[((5E)-4-methyl-3-[(4-methylphenyl)sulfonyl]-1,2,4-thiadiazol-5(4H)-ylidene)amino]butanenitrile
SpectraBase Compound ID 4848jrOHeWm
InChI InChI=1S/C14H16N4O2S2/c1-11-5-7-12(8-6-11)22(19,20)14-17-21-13(18(14)2)16-10-4-3-9-15/h5-8H,3-4,10H2,1-2H3/b16-13+
InChIKey GFWDVQCGQYKZNN-DTQAZKPQSA-N
Mol Weight 336.43 g/mol
Molecular Formula C14H16N4O2S2
Exact Mass 336.071468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFhUOdgrSQW
Name 4-[((5E)-4-methyl-3-[(4-methylphenyl)sulfonyl]-1,2,4-thiadiazol-5(4H)-ylidene)amino]butanenitrile
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Formula C14H16N4O2S2
InChI InChI=1S/C14H16N4O2S2/c1-11-5-7-12(8-6-11)22(19,20)14-17-21-13(18(14)2)16-10-4-3-9-15/h5-8H,3-4,10H2,1-2H3/b16-13+
InChIKey GFWDVQCGQYKZNN-DTQAZKPQSA-N
Molecular Weight 336.428 g/mol
SMILES C=1(S(c2ccc(cc2)C)(=O)=O)N(\C(=N/CCCC#N)SN1)C
SPLASH splash10-001i-5960000000-d03d274bd3831ad69ce1
Source of Spectrum F-48-7513-15
Synonyms 5-(3-Cyanopropylimino)-4-methyl-3-tosyl-.delta.(2)-1,2,4-thiadiazoline
Wiley ID 1332074