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

*Links on SpectraBase are not permalinks.

2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide
SpectraBase Compound ID 2YA4YrUrCCo
InChI InChI=1S/C25H22N6O3S/c1-17-22(24(33)31(29(17)2)19-12-7-4-8-13-19)26-21(32)16-35-25-28-27-23(20-14-9-15-34-20)30(25)18-10-5-3-6-11-18/h3-15H,16H2,1-2H3,(H,26,32)
InChIKey IDLHNQKIBWNWMH-UHFFFAOYSA-N
Mol Weight 486.55 g/mol
Molecular Formula C25H22N6O3S
Exact Mass 486.14741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID AtMysSVDA6P
Name 2-[[5-(2-Furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.147409763 u
Formula C25H22N6O3S
InChI InChI=1S/C25H22N6O3S/c1-17-22(24(33)31(29(17)2)19-12-7-4-8-13-19)26-21(32)16-35-25-28-27-23(20-14-9-15-34-20)30(25)18-10-5-3-6-11-18/h3-15H,16H2,1-2H3,(H,26,32)
InChIKey IDLHNQKIBWNWMH-UHFFFAOYSA-N
Molecular Weight 486.550 g/mol
SMILES C=1(C(N(C2=CC=CC=C2)N(C1C)C)=O)NC(=O)CSC=1N(C(C=2OC=CC2)=NN1)C1=CC=CC=C1