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4-Cyano-5-amino-2-[N'-(N"-phenylaminocarbonyl)aminocarbonyl]-3-(p-chlorophenyl)-thiophene
SpectraBase Compound ID B46XNKL2vYm
InChI InChI=1S/C19H13ClN4O2S/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 KKBPDIDZEBZIEU-UHFFFAOYSA-N
Mol Weight 396.85 g/mol
Molecular Formula C19H13ClN4O2S
Exact Mass 396.044775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCNim6hW2gs
Name 4-Cyano-5-amino-2-[N'-(N"-phenylaminocarbonyl)aminocarbonyl]-3-(p-chlorophenyl)-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C19H13ClN4O2S
InChI InChI=1S/C19H13ClN4O2S/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 KKBPDIDZEBZIEU-UHFFFAOYSA-N
Molecular Weight 396.852 g/mol
SMILES Nc1c(c(c(C(NC(Nc2ccccc2)=O)=O)s1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-0002-0009000000-643c28a15070ad947e8a
Source of Spectrum U1-2009-5253-3a
Synonyms 5-amino-N-[anilino(oxo)methyl]-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxamide 5-azanyl-3-(4-chlorophenyl)-4-cyano-N-(phenylcarbamoyl)thiophene-2-carboxamide
Wiley ID 1697156