For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-, (4Z)-

View entire compound with spectra: 2 NMR

3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-, (4Z)-
SpectraBase Compound ID 4H6WCGvWsMd
InChI InChI=1S/C19H22FN5OS/c1-12-17(23-11-22-12)10-27-9-8-21-13(2)18-14(3)24-25(19(18)26)16-6-4-15(20)5-7-16/h4-7,11,21H,8-10H2,1-3H3,(H,22,23)/b18-13-
InChIKey JRMQWBSCFMTQRJ-AQTBWJFISA-N
Mol Weight 387.48 g/mol
Molecular Formula C19H22FN5OS
Exact Mass 387.15291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LNNGp992I61
Name 3H-Pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-, (4Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.152909684 u
Formula C19H22FN5OS
InChI InChI=1S/C19H22FN5OS/c1-12-17(23-11-22-12)10-27-9-8-21-13(2)18-14(3)24-25(19(18)26)16-6-4-15(20)5-7-16/h4-7,11,21H,8-10H2,1-3H3,(H,22,23)/b18-13-
InChIKey JRMQWBSCFMTQRJ-AQTBWJFISA-N
Molecular Weight 387.477 g/mol
SMILES N(\C(=C/1C(N(N=C1C)C=1C=CC(=CC1)F)=O)C)CCSCC1=C(NC=N1)C