6-(1-adamantyl)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[(4-chlorophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[(4-chlorobenzyl)thio]nicotinonitrile Formula: C23H23ClN2S MolecularWeight: 394.96012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN2S/c24-20-4-1-15(2-5-20)14-27-22-19(13-25)3-6-21(26-22)23-10-16-7-17(11-23)9-18(8-16)12-23/h1-6,16-18H,7-12,14H2