SpectraBase Compound ID | METU7PVK4v |
---|---|
InChI | InChI=1S/C14H20N4S/c1-11(12-6-5-9-15-10-12)17-18-14(19)16-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11+ |
InChIKey | OGDNKYFAGDXNRG-GZTJUZNOSA-N |
Mol Weight | 276.4 g/mol |
Molecular Formula | C14H20N4S |
Exact Mass | 276.140868 g/mol |
SpectraBase Spectrum ID | 9MXoQJW5fmi |
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Name | Methyl 3-pyridyl ketone 4-cyclohexylthiosemicarbazone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 276.140867834 u |
Formula | C14H20N4S |
InChI | InChI=1S/C14H20N4S/c1-11(12-6-5-9-15-10-12)17-18-14(19)16-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11+ |
InChIKey | OGDNKYFAGDXNRG-GZTJUZNOSA-N |
SMILES | C1=C(C=CC=N1)\C(=N\NC(=S)NC1CCCCC1)C |