4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)pyridine-2-thiolate

Systemtic Name: 4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)pyridine-2-thiolate Openeye Name: 4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)pyridine-2-thiolate CAS Name: 4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)-2-pyridinethiolate IUPAC Name: 4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)pyridine-2-thiolate Traditional Name: 4-(1-adamantyl)-3-cyano-6-(trifluoromethyl)pyridine-2-thiolate Formula: C17H16F3N2S- MolecularWeight: 337.38255

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC(=C4C#N)[S-])C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC(=C4C#N)[S-])C(F)(F)F

InChI

InChI=1S/C17H17F3N2S/c18-17(19,20)14-4-13(12(8-21)15(23)22-14)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-7H2,(H,22,23)/p-1