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

Systemtic Name: 6-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[(4-tert-butylphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[(4-tert-butylbenzyl)thio]nicotinonitrile Formula: C27H32N2S MolecularWeight: 416.62138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C27H32N2S/c1-26(2,3)23-7-4-18(5-8-23)17-30-25-22(16-28)6-9-24(29-25)27-13-19-10-20(14-27)12-21(11-19)15-27/h4-9,19-21H,10-15,17H2,1-3H3