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3-(Benzylamino)-5-phenyl-isothiazole-4-carbonitrile
SpectraBase Compound ID CqIrXX0mFGQ
InChI InChI=1S/C17H13N3S/c18-11-15-16(14-9-5-2-6-10-14)21-20-17(15)19-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,19,20)
InChIKey TVFMCZTXLMVWCA-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C17H13N3S
Exact Mass 291.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcVFOKZh4k4
Name 3-(Benzylamino)-5-phenyl-isothiazole-4-carbonitrile
Alternate Name(s) 3-(benzylamino)-5-phenylisothiazole-4-carbonitrile 5-Phenyl-3-[(phenylmethyl)amino]-4-isothiazolecarbonitrile 3-(benzylamino)-5-phenyl-1,2-thiazole-4-carbonitrile 5-Phenyl-3-[(phenylmethyl)amino]-1,2-thiazole-4-carbonitrile
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Formula C17H13N3S
InChI InChI=1S/C17H13N3S/c18-11-15-16(14-9-5-2-6-10-14)21-20-17(15)19-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,19,20)
InChIKey TVFMCZTXLMVWCA-UHFFFAOYSA-N
Molecular Weight 291.372 g/mol
SMILES N(c1nsc(c1C#N)-c1ccccc1)Cc1ccccc1
SPLASH splash10-0006-5390000000-79b2413148c444cfae67
Source of Spectrum F5-4-3690-32
Wiley ID 1733005