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

*Links on SpectraBase are not permalinks.

acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-

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

acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 7z8Zf9ZCym2
InChI InChI=1S/C27H23FN6O2S/c1-18-24(26(36)34(32(18)2)22-14-7-4-8-15-22)29-23(35)17-37-27-31-30-25(19-10-9-11-20(28)16-19)33(27)21-12-5-3-6-13-21/h3-16H,17H2,1-2H3,(H,29,35)
InChIKey IQNQODQZGHDRHF-UHFFFAOYSA-N
Mol Weight 514.58 g/mol
Molecular Formula C27H23FN6O2S
Exact Mass 514.158723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6CaNoFuFFtq
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23FN6O2S
InChI InChI=1S/C27H23FN6O2S/c1-18-24(26(36)34(32(18)2)22-14-7-4-8-15-22)29-23(35)17-37-27-31-30-25(19-10-9-11-20(28)16-19)33(27)21-12-5-3-6-13-21/h3-16H,17H2,1-2H3,(H,29,35)
InChIKey IQNQODQZGHDRHF-UHFFFAOYSA-N
Molecular Weight 514.579 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)C(=O)CSc1[n](c(-c2cc(F)ccc2)nn1)-c1ccccc1
SPLASH splash10-0c29-9551000000-b470a27a6035a91257a4
Synonyms N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Wiley ID 1459911