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4-Amino-5-(5-oxo-4-(2-(4-tolyl)hydrazono)-4,5-dihydro-1H-pyrazol-3-yl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
SpectraBase Compound ID HOabYCGdXxv
InChI InChI=1S/C27H23N7O2S/c1-16-12-14-19(15-13-16)31-33-23-22(32-34-26(23)36)24-21(28)20(25(35)29-17-8-4-2-5-9-17)27(37-24)30-18-10-6-3-7-11-18/h2-15,30-31H,28H2,1H3,(H,29,35)(H,33,34,36)
InChIKey FUTDTLCRKXHGMG-UHFFFAOYSA-N
Mol Weight 509.59 g/mol
Molecular Formula C27H23N7O2S
Exact Mass 509.163394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fcg8a9DZSZf
Name 4-Amino-5-(5-oxo-4-(2-(4-tolyl)hydrazono)-4,5-dihydro-1H-pyrazol-3-yl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
Appearance Orange powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N7O2S
InChI InChI=1S/C27H23N7O2S/c1-16-12-14-19(15-13-16)31-33-23-22(32-34-26(23)36)24-21(28)20(25(35)29-17-8-4-2-5-9-17)27(37-24)30-18-10-6-3-7-11-18/h2-15,30-31H,28H2,1H3,(H,29,35)(H,33,34,36)
InChIKey FUTDTLCRKXHGMG-UHFFFAOYSA-N
Instrument Name Quadrupole GC-MS DSQII
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4262
Molecular Weight 509.588 g/mol
SMILES Nc1c(C(=O)Nc2ccccc2)c(sc1C1=NNC(C1=NNc1ccc(cc1)C)=O)Nc1ccccc1
SPLASH splash10-0fw9-5224900000-fd20a739cfb163faf1d8
Source of Spectrum Y-58-SM17-4a
Wiley ID 1880934