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3-(4'-Bromophenyl)imino-2-(4'-bromophenyl)-1-thioxo-2,3,5,10-tetrahydro[1,2,4]triazolo[1,2-b]phthalazine
SpectraBase Compound ID 3JIz4BxlxOr
InChI InChI=1S/C22H16Br2N4S/c23-17-5-9-19(10-6-17)25-21-26-13-15-3-1-2-4-16(15)14-27(26)22(29)28(21)20-11-7-18(24)8-12-20/h1-12H,13-14H2/b25-21+
InChIKey SUPXKPGLJMSTDY-NJNXFGOHSA-N
Mol Weight 528.27 g/mol
Molecular Formula C22H16Br2N4S
Exact Mass 525.946244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rdrb9ZixSE
Name 3-(4'-Bromophenyl)imino-2-(4'-bromophenyl)-1-thioxo-2,3,5,10-tetrahydro[1,2,4]triazolo[1,2-b]phthalazine
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Formula C22H16Br2N4S
InChI InChI=1S/C22H16Br2N4S/c23-17-5-9-19(10-6-17)25-21-26-13-15-3-1-2-4-16(15)14-27(26)22(29)28(21)20-11-7-18(24)8-12-20/h1-12H,13-14H2/b25-21+
InChIKey SUPXKPGLJMSTDY-NJNXFGOHSA-N
Molecular Weight 528.266 g/mol
SMILES C1(N(\C(N2N1Cc1c(C2)cccc1)=N\c1ccc(cc1)Br)c1ccc(cc1)Br)=S
SPLASH splash10-0fb9-3911070000-1985dc3eccb2bcad2efa
Source of Spectrum Y-32-286-19
Synonyms (3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)imino]-2,3,5,10-tetrahydro-1H-[1,2,4]triazolo[1,2-b]phthalazine-1-thione
Wiley ID 1402746