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4-Amino-5-(4-(2-(4-chlorophenyl)hydrazono)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
SpectraBase Compound ID 7mbtdCQLbz0
InChI InChI=1S/C26H20ClN7O2S/c27-15-11-13-18(14-12-15)31-33-22-21(32-34-25(22)36)23-20(28)19(24(35)29-16-7-3-1-4-8-16)26(37-23)30-17-9-5-2-6-10-17/h1-14,30-31H,28H2,(H,29,35)(H,33,34,36)
InChIKey QPZWMBKHQQZQNM-UHFFFAOYSA-N
Mol Weight 530.01 g/mol
Molecular Formula C26H20ClN7O2S
Exact Mass 529.108772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pqx9XrKHFt
Name 4-Amino-5-(4-(2-(4-chlorophenyl)hydrazono)-5-oxo-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 C26H20ClN7O2S
InChI InChI=1S/C26H20ClN7O2S/c27-15-11-13-18(14-12-15)31-33-22-21(32-34-25(22)36)23-20(28)19(24(35)29-16-7-3-1-4-8-16)26(37-23)30-17-9-5-2-6-10-17/h1-14,30-31H,28H2,(H,29,35)(H,33,34,36)
InChIKey QPZWMBKHQQZQNM-UHFFFAOYSA-N
Instrument Name Quadrupole GC-MS DSQII
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4262
Molecular Weight 530.006 g/mol
SMILES Nc1c(C(=O)Nc2ccccc2)c(sc1C1=NNC(C1=NNc1ccc(cc1)Cl)=O)Nc1ccccc1
SPLASH splash10-0fc1-5359210000-62a08851dc153fdbdafb
Source of Spectrum Y-58-SM25-4c
Wiley ID 1880935