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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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