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

*Links on SpectraBase are not permalinks.

3-[(p-Chlorophenyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-[(p-Chlorophenyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester
SpectraBase Compound ID DsreiS1Ts2K
InChI InChI=1S/C23H18ClF3N6O3S3/c1-37-22(30-29-21(34)28-15-6-4-14(24)5-7-15)32-39(35,36)17-10-8-16(9-11-17)33-18(19-3-2-12-38-19)13-20(31-33)23(25,26)27/h2-13H,1H3,(H,30,32)(H2,28,29,34)
InChIKey BFMBPEYCEFCPNG-UHFFFAOYSA-N
Mol Weight 615.06 g/mol
Molecular Formula C23H18ClF3N6O3S3
Exact Mass 614.024314 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 HCMOaiWp32x
Name 3-[(p-Chlorophenyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.024314172 u
Formula C23H18ClF3N6O3S3
InChI InChI=1S/C23H18ClF3N6O3S3/c1-37-22(30-29-21(34)28-15-6-4-14(24)5-7-15)32-39(35,36)17-10-8-16(9-11-17)33-18(19-3-2-12-38-19)13-20(31-33)23(25,26)27/h2-13H,1H3,(H,30,32)(H2,28,29,34)
InChIKey BFMBPEYCEFCPNG-UHFFFAOYSA-N
Molecular Weight 615.064 g/mol
SMILES N(\C(=N\S(=O)(=O)C1=CC=C(C=C1)N1C(C=2SC=CC2)=CC(=N1)C(F)(F)F)SC)NC(=O)NC=1C=CC(Cl)=CC1