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5-(2-Cyanomethyl-thiazol-4-yl)-4-phenyl-2-phenylamino-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 10y5JleKpV
InChI InChI=1S/C24H19N3O2S2/c1-2-29-24(28)21-20(16-9-5-3-6-10-16)22(18-15-30-19(27-18)13-14-25)31-23(21)26-17-11-7-4-8-12-17/h3-12,15,26H,2,13H2,1H3
InChIKey NDDFQNJOIPSSHI-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C24H19N3O2S2
Exact Mass 445.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWdZ2dTDOlT
Name 5-(2-Cyanomethyl-thiazol-4-yl)-4-phenyl-2-phenylamino-thiophene-3-carboxylic acid ethyl ester
Appearance Deep Brown powder
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Formula C24H19N3O2S2
InChI InChI=1S/C24H19N3O2S2/c1-2-29-24(28)21-20(16-9-5-3-6-10-16)22(18-15-30-19(27-18)13-14-25)31-23(21)26-17-11-7-4-8-12-17/h3-12,15,26H,2,13H2,1H3
InChIKey NDDFQNJOIPSSHI-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3999
Molecular Weight 445.555 g/mol
SMILES N(c1c(c(c(-c2csc(CC#N)n2)s1)-c1ccccc1)C(=O)OCC)c1ccccc1
SPLASH splash10-014i-0090000000-41f17b085188d5f248a1
Source of Spectrum Y-57-2918-5c
Wiley ID 1860271