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

*Links on SpectraBase are not permalinks.

5-(1-p-Chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-2-(4-bromophenyl)amino-1,3,4-thiadiazole

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

5-(1-p-Chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-2-(4-bromophenyl)amino-1,3,4-thiadiazole
SpectraBase Compound ID 3VyEYcbECmb
InChI InChI=1S/C17H12BrClN6S/c1-10-15(21-24-25(10)14-8-4-12(19)5-9-14)16-22-23-17(26-16)20-13-6-2-11(18)3-7-13/h2-9H,1H3,(H,20,23)
InChIKey JRJJCPPDJDBDDJ-UHFFFAOYSA-N
Mol Weight 447.74 g/mol
Molecular Formula C17H12BrClN6S
Exact Mass 445.971606 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 75lVC0GL77k
Name 5-(1-p-Chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-2-(4-bromophenyl)amino-1,3,4-thiadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.971606284 u
Formula C17H12BrClN6S
InChI InChI=1S/C17H12BrClN6S/c1-10-15(21-24-25(10)14-8-4-12(19)5-9-14)16-22-23-17(26-16)20-13-6-2-11(18)3-7-13/h2-9H,1H3,(H,20,23)
InChIKey JRJJCPPDJDBDDJ-UHFFFAOYSA-N
Molecular Weight 447.742 g/mol
SMILES C1(C2=C(C)N(N=N2)C2=CC=C(C=C2)Cl)=NN=C(S1)NC1=CC=C(C=C1)Br