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4-Cyano-5-amino-2-[N'-(N"-phenylaminocarbonyl)aminocarbonyl]-3-(p-bromophenyl)-thiophene
SpectraBase Compound ID MlhFle8W9Q
InChI InChI=1S/C19H13BrN4O2S/c20-12-8-6-11(7-9-12)15-14(10-21)17(22)27-16(15)18(25)24-19(26)23-13-4-2-1-3-5-13/h1-9H,22H2,(H2,23,24,25,26)
InChIKey XHDSNSRDAPSIBO-UHFFFAOYSA-N
Mol Weight 441.3 g/mol
Molecular Formula C19H13BrN4O2S
Exact Mass 439.99426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuZ9BP1ttMq
Name 4-Cyano-5-amino-2-[N'-(N"-phenylaminocarbonyl)aminocarbonyl]-3-(p-bromophenyl)-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C19H13BrN4O2S
InChI InChI=1S/C19H13BrN4O2S/c20-12-8-6-11(7-9-12)15-14(10-21)17(22)27-16(15)18(25)24-19(26)23-13-4-2-1-3-5-13/h1-9H,22H2,(H2,23,24,25,26)
InChIKey XHDSNSRDAPSIBO-UHFFFAOYSA-N
Molecular Weight 441.303 g/mol
SMILES Nc1c(c(c(C(NC(Nc2ccccc2)=O)=O)s1)-c1ccc(cc1)Br)C#N
SPLASH splash10-000f-0000900000-800a7f8cfe59b1339913
Source of Spectrum U1-2009-5253-3d
Synonyms 5-amino-N-[anilino(oxo)methyl]-3-(4-bromophenyl)-4-cyano-2-thiophenecarboxamide 5-azanyl-3-(4-bromophenyl)-4-cyano-N-(phenylcarbamoyl)thiophene-2-carboxamide
Wiley ID 1697153