2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C30H28N2OS MolecularWeight: 464.62112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C30H28N2OS/c31-18-26-25(23-7-3-1-4-8-23)14-27(24-9-5-2-6-10-24)32-29(26)34-19-28(33)30-15-20-11-21(16-30)13-22(12-20)17-30/h1-10,14,20-22H,11-13,15-17,19H2