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

*Links on SpectraBase are not permalinks.

5-pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 2-propenyl ester

View entire compound with spectra: 2 NMR

5-pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 2-propenyl ester
SpectraBase Compound ID BsiCSnTrzFd
InChI InChI=1S/C24H21ClN4O2S/c1-3-13-31-23(30)20-15(2)26-24(32)27-22(20)19-14-29(18-7-5-4-6-8-18)28-21(19)16-9-11-17(25)12-10-16/h3-12,14,22H,1,13H2,2H3,(H2,26,27,32)
InChIKey RDAZVJJOLMFPEC-UHFFFAOYSA-N
Mol Weight 464.97 g/mol
Molecular Formula C24H21ClN4O2S
Exact Mass 464.107375 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 kwuNUvHvwT
Name 5-Pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 2-propenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.107374804 u
Formula C24H21ClN4O2S
InChI InChI=1S/C24H21ClN4O2S/c1-3-13-31-23(30)20-15(2)26-24(32)27-22(20)19-14-29(18-7-5-4-6-8-18)28-21(19)16-9-11-17(25)12-10-16/h3-12,14,22H,1,13H2,2H3,(H2,26,27,32)
InChIKey RDAZVJJOLMFPEC-UHFFFAOYSA-N
Molecular Weight 464.971 g/mol
SMILES N1C(=C(C(C=2C(=NN(C2)C2=CC=CC=C2)C2=CC=C(C=C2)Cl)NC1=S)C(=O)OCC=C)C