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(5Z)-3-cyclohexyl-5-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
SpectraBase Compound ID FiTAIpE00Xg
InChI InChI=1S/C21H23N5O4S/c1-30-18-8-7-14(11-15(18)13-24-10-9-19(23-24)26(28)29)12-17-20(27)25(21(31)22-17)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,22,31)/b17-12-
InChIKey NTMOSCJWVKNQGU-ATVHPVEESA-N
Mol Weight 441.51 g/mol
Molecular Formula C21H23N5O4S
Exact Mass 441.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5sKJlnwUvt2
Name (5Z)-3-cyclohexyl-5-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
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/C21H23N5O4S/c1-30-18-8-7-14(11-15(18)13-24-10-9-19(23-24)26(28)29)12-17-20(27)25(21(31)22-17)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,22,31)/b17-12-
InChIKey NTMOSCJWVKNQGU-ATVHPVEESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29857
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: 1318187; SBI_ID: SBI-029861
Synonyms 3-cyclohexyl-5-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Temperature 318 °C