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4-amino-5-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
SpectraBase Compound ID HNpkDCFykIB
InChI InChI=1S/C20H17N5O2S/c21-17-16(19(27)22-12-7-3-1-4-8-12)20(23-13-9-5-2-6-10-13)28-18(17)14-11-15(26)25-24-14/h1-10,23H,11,21H2,(H,22,27)(H,25,26)
InChIKey WEQKUJCSCYUNEU-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F26ZM30Vi9N
Name 4-amino-5-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-N-phenyl-2-(phenylamino)thiophene-3-carboxamide
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O2S
InChI InChI=1S/C20H17N5O2S/c21-17-16(19(27)22-12-7-3-1-4-8-12)20(23-13-9-5-2-6-10-13)28-18(17)14-11-15(26)25-24-14/h1-10,23H,11,21H2,(H,22,27)(H,25,26)
InChIKey WEQKUJCSCYUNEU-UHFFFAOYSA-N
Instrument Name Quadrupole GC-MS DSQII
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4262
SMILES Nc1c(C(=O)Nc2ccccc2)c(sc1C1=NNC(C1)=O)Nc1ccccc1
SPLASH splash10-01oy-2292000000-490b779cb947d5912fba
Source of Spectrum Y-58-SM13-3
Wiley ID 1880933