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4-ETHYL-3-OXO-5-[4-[N-(PARA-TOLUENESULFONYLMETHYL)-IMINO]-[1,3]-DITHIETAN-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 6pDmMQuWxKJ
InChI InChI=1S/C17H14N2O3S7/c1-3-19-11-13(20)27-28-16(11)24-14(23)12(19)15-25-17(26-15)18-8-29(21,22)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b15-12-,18-17+
InChIKey INBIFOUUKYPEGU-RTEPIGOCSA-N
Mol Weight 518.7 g/mol
Molecular Formula C17H14N2O3S7
Exact Mass 517.904941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hgB1mVpFRZ
Name 4-Ethyl-3-oxo-5-{4-[N-(p-toluenesulfonylmethyl)imino][1,3]dithietan-2-ylidene)[1,2]dithiolo[3,4-b][1,4]thiazine-6-thione
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Formula C17H14N2O3S7
InChI InChI=1S/C17H14N2O3S7/c1-3-19-11-13(20)27-28-16(11)24-14(23)12(19)15-25-17(26-15)18-8-29(21,22)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b15-12-,18-17+
InChIKey INBIFOUUKYPEGU-RTEPIGOCSA-N
Molecular Weight 518.730 g/mol
SMILES C12=C(N(CC)\C(C(S2)=S)=C\2S\C(S2)=N\CS(c2ccc(cc2)C)(=O)=O)C(=O)SS1
SPLASH splash10-006x-9304000000-e7fbb89287c65acb5c4d
Source of Spectrum J-66-5771-17
Synonyms 4-Ethyl-5-[4-({[(4-methylphenyl)sulfonyl]methyl}imino)-1,3-dithietan-2-ylidene]-6-thioxo-5,6-dihydro-3H,4H-[1,2]dithiolo[3,4-b][1,4]thiazin-3-one
Wiley ID 1535721