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

*Links on SpectraBase are not permalinks.

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID H1pFswnA5Fh
InChI InChI=1S/C28H27ClFN5O2S/c1-28(2,3)19-10-8-18(9-11-19)26-33-34-27(35(26)20-12-14-21(37-4)15-13-20)38-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ZGZXNFPXWOTJIX-WCMJOSRZSA-N
Mol Weight 552.07 g/mol
Molecular Formula C28H27ClFN5O2S
Exact Mass 551.155802 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 FiRUbef5awn
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.155802164 u
Formula C28H27ClFN5O2S
InChI InChI=1S/C28H27ClFN5O2S/c1-28(2,3)19-10-8-18(9-11-19)26-33-34-27(35(26)20-12-14-21(37-4)15-13-20)38-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ZGZXNFPXWOTJIX-WCMJOSRZSA-N
Molecular Weight 552.068 g/mol
SMILES N(\N=C\C=1C(Cl)=CC=CC1F)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C=C1)OC)=O