SpectraBase Compound ID | 81rte9mQOdv |
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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 |
SpectraBase Spectrum ID | 6Deoti4doKC |
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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 |