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5-[2-(4-bromophenyl)-4-quinolinyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 2 NMR

5-[2-(4-bromophenyl)-4-quinolinyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID BjZIzPeN7LM
InChI InChI=1S/C19H15BrN4S/c1-2-24-18(22-23-19(24)25)15-11-17(12-7-9-13(20)10-8-12)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,23,25)
InChIKey SAJJRANJIXTWFH-UHFFFAOYSA-N
Mol Weight 411.32 g/mol
Molecular Formula C19H15BrN4S
Exact Mass 410.020081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeJY8j3k1FT
Name 5-[2-(4-Bromophenyl)-4-quinolinyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.020080673 u
Formula C19H15BrN4S
InChI InChI=1S/C19H15BrN4S/c1-2-24-18(22-23-19(24)25)15-11-17(12-7-9-13(20)10-8-12)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,23,25)
InChIKey SAJJRANJIXTWFH-UHFFFAOYSA-N
Molecular Weight 411.321 g/mol
SMILES SC=1N(C(=NN1)C=1C=C(C=2C=CC(=CC2)Br)N=C2C1C=CC=C2)CC