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

*Links on SpectraBase are not permalinks.

4-Chloro-N-(3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide

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

4-Chloro-N-(3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
SpectraBase Compound ID Gy6Xm4KcUjj
InChI InChI=1S/C19H12Cl2N8OS/c1-10-15(23-27-28(10)14-8-6-13(21)7-9-14)16-24-25-19-29(16)26-18(31-19)22-17(30)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,22,26,30)
InChIKey VUHNQFUMSOOTDQ-UHFFFAOYSA-N
Mol Weight 471.33 g/mol
Molecular Formula C19H12Cl2N8OS
Exact Mass 470.023184 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 7lUrt85W2nv
Name 4-Chloro-N-(3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazol-6-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.023183611 u
Formula C19H12Cl2N8OS
InChI InChI=1S/C19H12Cl2N8OS/c1-10-15(23-27-28(10)14-8-6-13(21)7-9-14)16-24-25-19-29(16)26-18(31-19)22-17(30)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,22,26,30)
InChIKey VUHNQFUMSOOTDQ-UHFFFAOYSA-N
Molecular Weight 471.326 g/mol
SMILES C=1C(N2C(=C(C3=NN=C4N3N=C(S4)NC(C3=CC=C(C=C3)Cl)=O)N=N2)C)=CC=C(Cl)C1