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(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-CYANOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID BfddIs34C5A
InChI InChI=1S/C23H13N5OS5/c1-2-27-17(22(30)32-23-18(27)21(29)33-34-23)20-28(16-9-5-14(12-25)6-10-16)26-19(31-20)15-7-3-13(11-24)4-8-15/h3-10H,2H2,1H3/b20-17+
InChIKey ACCBEFCDROSYLH-LVZFUZTISA-N
Mol Weight 535.7 g/mol
Molecular Formula C23H13N5OS5
Exact Mass 534.972366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2q1g9elj78
Name (E)-4-Ethyl-3-oxo-5-{3,5-di(4-cyanophenyl)[1.3.4]thiadiazolo-2-ylidenyl}[1,2]dithiolo[3,4-b][1,4]thiazine-6-thione
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Formula C23H13N5OS5
InChI InChI=1S/C23H13N5OS5/c1-2-27-17(22(30)32-23-18(27)21(29)33-34-23)20-28(16-9-5-14(12-25)6-10-16)26-19(31-20)15-7-3-13(11-24)4-8-15/h3-10H,2H2,1H3/b20-17+
InChIKey ACCBEFCDROSYLH-LVZFUZTISA-N
Molecular Weight 535.691 g/mol
SMILES C1=2N(\C(=C/3N(N=C(S3)c3ccc(C#N)cc3)c3ccc(C#N)cc3)C(SC2SSC1=O)=S)CC
SPLASH splash10-02t9-0050950000-42e61a813081fe8d021f
Source of Spectrum J-66-5770-4
Synonyms 4-[(5E)-4-(4-cyanophenyl)-5-(4-ethyl-3-oxo-6-sulfanylidene-5-dithiolo[3,4-b][1,4]thiazinylidene)-1,3,4-thiadiazol-2-yl]benzonitrile 4-[(5E)-4-(4-cyanophenyl)-5-(4-ethyl-3-oxo-6-sulfanylidenedithiolo[3,4-b][1,4]thiazin-5-ylidene)-1,3,4-thiadiazol-2-yl]benzonitrile 4-[(5E)-4-(4-cyanophenyl)-5-(4-ethyl-3-oxo-6-thioxo-dithiolo[3,4-b][1,4]thiazin-5-ylidene)-1,3,4-thiadiazol-2-yl]benzonitrile 4-[(5E)-4-(4-cyanophenyl)-5-(4-ethyl-3-oxidanylidene-6-sulfanylidene-[1,2]dithiolo[3,4-b][1,4]thiazin-5-ylidene)-1,3,4-thiadiazol-2-yl]benzenecarbonitrile
Wiley ID 1535728