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1-Benzothiophene-3-carbonitrile, 2-[(1,2-benzisothiazol-3-yl)amino]-4,5,6,7-tetrahydro-, S,S-dioxide
SpectraBase Compound ID EUBvMqAqdH0
InChI InChI=1S/C16H13N3O2S2/c17-9-12-10-5-1-3-7-13(10)22-16(12)18-15-11-6-2-4-8-14(11)23(20,21)19-15/h2,4,6,8H,1,3,5,7H2,(H,18,19)
InChIKey MZVOWUIBUDGQCA-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C16H13N3O2S2
Exact Mass 343.044919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0wCH0PeN8a
Name 1-Benzothiophene-3-carbonitrile, 2-[(1,2-benzisothiazol-3-yl)amino]-4,5,6,7-tetrahydro-, S,S-dioxide
Alternate Name(s) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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Formula C16H13N3O2S2
InChI InChI=1S/C16H13N3O2S2/c17-9-12-10-5-1-3-7-13(10)22-16(12)18-15-11-6-2-4-8-14(11)23(20,21)19-15/h2,4,6,8H,1,3,5,7H2,(H,18,19)
InChIKey MZVOWUIBUDGQCA-UHFFFAOYSA-N
Molecular Weight 343.419 g/mol
SMILES N(C=1c2ccccc2S(N1)(=O)=O)c1c(c2CCCCc2s1)C#N
SPLASH splash10-002f-9641000000-59aef7460f9acc19bcb6
Source of Spectrum IY-1-4491-0
Wiley ID 1652893