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5-(2-Phenylquinolin-4-yl)-4H-[1,2,4]triazol-3-thiol
SpectraBase Compound ID 81rte9mQOdv
InChI InChI=1S/C17H12N4S/c22-17-19-16(20-21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,19,20,21,22)
InChIKey MBVCYFWQWACEEX-UHFFFAOYSA-N
Mol Weight 304.37 g/mol
Molecular Formula C17H12N4S
Exact Mass 304.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Deoti4doKC
Name 5-(2-Phenylquinolin-4-yl)-4H-[1,2,4]triazol-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.078267576 u
Formula C17H12N4S
InChI InChI=1S/C17H12N4S/c22-17-19-16(20-21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,19,20,21,22)
InChIKey MBVCYFWQWACEEX-UHFFFAOYSA-N
Molecular Weight 304.371 g/mol
SMILES C1=CC=CC=C1C1=CC(=C2C(=N1)C=CC=C2)C=1NC(S)=NN1