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4-Cyano-2-(p-toluenesulfonyl)-5-phenylisothiazol-3-one
SpectraBase Compound ID E7VbIKGnBVw
InChI InChI=1S/C17H12N2O3S2/c1-12-7-9-14(10-8-12)24(21,22)19-17(20)15(11-18)16(23-19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey SVIZAFVSDQOYDZ-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C17H12N2O3S2
Exact Mass 356.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83ypSxCoOjS
Name 4-Cyano-2-(p-toluenesulfonyl)-5-phenylisothiazol-3-one
Alternate Name(s) 3-Oxo-5-phenyl-2-tosyl-2,3-dihydroisothiazole-4-carbonitrile 2-(4-Methylphenyl)sulfonyl-3-oxo-5-phenyl-4-isothiazolecarbonitrile 2-(4-Methylphenyl)sulfonyl-3-oxo-5-phenyl-1,2-thiazole-4-carbonitrile 3-Oxo-5-phenyl-2-(p-tolylsulfonyl)isothiazole-4-carbonitrile 2-(4-Methylphenyl)sulfonyl-3-oxidanylidene-5-phenyl-1,2-thiazole-4-carbonitrile
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Formula C17H12N2O3S2
InChI InChI=1S/C17H12N2O3S2/c1-12-7-9-14(10-8-12)24(21,22)19-17(20)15(11-18)16(23-19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey SVIZAFVSDQOYDZ-UHFFFAOYSA-N
Molecular Weight 356.414 g/mol
SMILES c1(S(N2C(C(C#N)=C(S2)c2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9410000000-4d4e5e53bed876f6bab9
Source of Spectrum F5-4-3689-27
Wiley ID 1733008