6-(1-adamantyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[(2-chloro-6-fluorophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[(2-chloro-6-fluoro-benzyl)thio]nicotinonitrile Formula: C23H22ClFN2S MolecularWeight: 412.950583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C23H22ClFN2S/c24-19-2-1-3-20(25)18(19)13-28-22-17(12-26)4-5-21(27-22)23-9-14-6-15(10-23)8-16(7-14)11-23/h1-5,14-16H,6-11,13H2