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4-Cyano-5-amino-2-[N'-(N"-p-chlorophenylaminocarbonyl)aminocarbonyl]-3-(p-chlorophenyl)-thiophene
SpectraBase Compound ID 4s2uL6mxHMA
InChI InChI=1S/C19H12Cl2N4O2S/c20-11-3-1-10(2-4-11)15-14(9-22)17(23)28-16(15)18(26)25-19(27)24-13-7-5-12(21)6-8-13/h1-8H,23H2,(H2,24,25,26,27)
InChIKey VFKOWTKQDBGPAI-UHFFFAOYSA-N
Mol Weight 431.3 g/mol
Molecular Formula C19H12Cl2N4O2S
Exact Mass 430.005802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb2GL0z9Qtc
Name 4-Cyano-5-amino-2-[N'-(N"-p-chlorophenylaminocarbonyl)aminocarbonyl]-3-(p-chlorophenyl)-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C19H12Cl2N4O2S
InChI InChI=1S/C19H12Cl2N4O2S/c20-11-3-1-10(2-4-11)15-14(9-22)17(23)28-16(15)18(26)25-19(27)24-13-7-5-12(21)6-8-13/h1-8H,23H2,(H2,24,25,26,27)
InChIKey VFKOWTKQDBGPAI-UHFFFAOYSA-N
Molecular Weight 431.297 g/mol
SMILES Nc1c(c(c(C(NC(Nc2ccc(cc2)Cl)=O)=O)s1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-003r-0000900000-78a48583533ad8ed48d6
Source of Spectrum U1-2009-5253-3b
Synonyms 5-amino-N-[(4-chloroanilino)-oxomethyl]-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxamide 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide 5-azanyl-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyano-thiophene-2-carboxamide
Wiley ID 1697155