ethyl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate

SpectraBase Compound ID	EMs0MHxaenf
InChI	InChI=1S/C29H25N5O4S2/c1-3-38-28(37)25-22(20-10-6-4-7-11-20)17-39-26(25)32-24(35)18-40-29-31-23(14-19-15-30-33(2)16-19)27(36)34(29)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,32,35)/b23-14+
InChIKey	YTCGIXWOBPDVCQ-OEAKJJBVSA-N Google Search
Mol Weight	571.67 g/mol
Molecular Formula	C29H25N5O4S2
Exact Mass	571.134797 g/mol

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SpectraBase Spectrum ID	H5WtbWyC2gp
Name	ethyl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C29H25N5O4S2/c1-3-38-28(37)25-22(20-10-6-4-7-11-20)17-39-26(25)32-24(35)18-40-29-31-23(14-19-15-30-33(2)16-19)27(36)34(29)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,32,35)/b23-14+
InChIKey	YTCGIXWOBPDVCQ-OEAKJJBVSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11599
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/1265471; Labnumber: NIV1648; UZI_ID: UZI-011601
Synonyms	ethyl 2-{[({4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate
Temperature	308 °C