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1-4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenyl-3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-5-phenyl-1H-pyrrol-2(3H)-one

View entire compound with spectra: 1 MS (GC)

1-4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenyl-3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-5-phenyl-1H-pyrrol-2(3H)-one
SpectraBase Compound ID 9o8pUEVD66g
InChI InChI=1S/C34H25N7OS/c35-41-32(36-37-34(41)43)25-16-18-29(19-17-25)40-30(23-10-4-1-5-11-23)21-26(33(40)42)20-27-22-39(28-14-8-3-9-15-28)38-31(27)24-12-6-2-7-13-24/h1-22H,35H2,(H,37,43)
InChIKey NTDYJGRMADBXPG-UHFFFAOYSA-N
Mol Weight 579.7 g/mol
Molecular Formula C34H25N7OS
Exact Mass 579.18413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7U28bxf3wGx
Name 1-4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenyl-3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-5-phenyl-1H-pyrrol-2(3H)-one
Appearance Beige crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H25N7OS
InChI InChI=1S/C34H25N7OS/c35-41-32(36-37-34(41)43)25-16-18-29(19-17-25)40-30(23-10-4-1-5-11-23)21-26(33(40)42)20-27-22-39(28-14-8-3-9-15-28)38-31(27)24-12-6-2-7-13-24/h1-22H,35H2,(H,37,43)
InChIKey NTDYJGRMADBXPG-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2401
Molecular Weight 579.682 g/mol
SMILES N[n]1c(nnc1S)-c1ccc(cc1)N1C(=CC(C1=O)=Cc1c[n](nc1-c1ccccc1)-c1ccccc1)c1ccccc1
SPLASH splash10-00or-3114890000-91efd7548939999899cc
Source of Spectrum Y-53-206-5
Wiley ID 1877589