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4-Amino-5-(5-bromothiophene-2-carbonyl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
SpectraBase Compound ID 7Q26l68CSZH
InChI InChI=1S/C22H16BrN3O2S2/c23-16-12-11-15(29-16)19(27)20-18(24)17(21(28)25-13-7-3-1-4-8-13)22(30-20)26-14-9-5-2-6-10-14/h1-12,26H,24H2,(H,25,28)
InChIKey SSXTVTGIUOAARI-UHFFFAOYSA-N
Mol Weight 498.41 g/mol
Molecular Formula C22H16BrN3O2S2
Exact Mass 496.986732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbUsBmuUZCD
Name 4-Amino-5-(5-bromothiophene-2-carbonyl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
Appearance Yellow crystals
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Formula C22H16BrN3O2S2
InChI InChI=1S/C22H16BrN3O2S2/c23-16-12-11-15(29-16)19(27)20-18(24)17(21(28)25-13-7-3-1-4-8-13)22(30-20)26-14-9-5-2-6-10-14/h1-12,26H,24H2,(H,25,28)
InChIKey SSXTVTGIUOAARI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4122
Molecular Weight 498.413 g/mol
SMILES N(c1sc(c(c1C(=O)Nc1ccccc1)N)C(c1ccc(s1)Br)=O)c1ccccc1
SPLASH splash10-0udi-0900000000-47e5cb48d7b683b18747
Source of Spectrum Y-57-4161-25a
Wiley ID 1859932