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(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-BROMOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-BROMOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 7cVPUrsQ0jp
InChI InChI=1S/C21H13Br2N3OS5/c1-2-25-15(20(28)30-21-16(25)19(27)31-32-21)18-26(14-9-7-13(23)8-10-14)24-17(29-18)11-3-5-12(22)6-4-11/h3-10H,2H2,1H3/b18-15+
InChIKey YQGWUGOPNUGXTQ-OBGWFSINSA-N
Mol Weight 643.5 g/mol
Molecular Formula C21H13Br2N3OS5
Exact Mass 640.802894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vHV38nMmS9
Name (E)-4-Ethyl-3-oxo-5-{3,5-di(4-bromophenyl)[1.3.4]thiadiazolo-2-ylidenyl}[1,2]dithiolo[3,4-b][1,4]thiazine-6-thione
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Formula C21H13Br2N3OS5
InChI InChI=1S/C21H13Br2N3OS5/c1-2-25-15(20(28)30-21-16(25)19(27)31-32-21)18-26(14-9-7-13(23)8-10-14)24-17(29-18)11-3-5-12(22)6-4-11/h3-10H,2H2,1H3/b18-15+
InChIKey YQGWUGOPNUGXTQ-OBGWFSINSA-N
Molecular Weight 643.463 g/mol
SMILES C1=2N(\C(=C/3N(N=C(S3)c3ccc(cc3)Br)c3ccc(cc3)Br)C(SC2SSC1=O)=S)CC
SPLASH splash10-03xr-0000009000-c923823525a71c94d940
Source of Spectrum J-66-5770-4
Synonyms (5E)-5-[3,5-bis(4-bromophenyl)-1,3,4-thiadiazol-2-ylidene]-4-ethyl-6-sulfanylidene-3-dithiolo[3,4-b][1,4]thiazinone (5E)-5-[3,5-bis(4-bromophenyl)-1,3,4-thiadiazol-2-ylidene]-4-ethyl-6-sulfanylidenedithiolo[3,4-b][1,4]thiazin-3-one (5E)-5-[3,5-bis(4-bromophenyl)-1,3,4-thiadiazol-2-ylidene]-4-ethyl-6-sulfanylidene-[1,2]dithiolo[3,4-b][1,4]thiazin-3-one
Wiley ID 1535729