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2-(4-Bromophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone
SpectraBase Compound ID IjHIwyJHjW4
InChI InChI=1S/C21H13BrN4O3S/c22-13-6-8-14(9-7-13)23-16-11-17(27)15(10-18(16)28)20-25-26-21(30-20)24-19(29)12-4-2-1-3-5-12/h1-11,23H,(H,24,26,29)
InChIKey FGPWLJMBCJDAFX-UHFFFAOYSA-N
Mol Weight 481.32 g/mol
Molecular Formula C21H13BrN4O3S
Exact Mass 479.989174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uVo2VX9vhj
Name 2-(4-Bromophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone
Alternate Name(s) N-(5-(4-((4-bromophenyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide N-[5-[4-(4-bromoanilino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-bromoanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-bromoanilino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-[(4-bromophenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
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Formula C21H13BrN4O3S
InChI InChI=1S/C21H13BrN4O3S/c22-13-6-8-14(9-7-13)23-16-11-17(27)15(10-18(16)28)20-25-26-21(30-20)24-19(29)12-4-2-1-3-5-12/h1-11,23H,(H,24,26,29)
InChIKey FGPWLJMBCJDAFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-4184(199812)331_12_385
Molecular Weight 481.324 g/mol
SMILES N(C(c1ccccc1)=O)c1sc(C2=CC(C(=CC2=O)Nc2ccc(cc2)Br)=O)nn1
SPLASH splash10-057i-5600900000-1be01a708b587232afa8
Source of Spectrum APP-385-387-4f
Wiley ID 1770248