2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(phenylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Formula: C28H31N3OS MolecularWeight: 457.63024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=C1N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C28H31N3OS/c29-15-23-11-24-17-31(16-19-4-2-1-3-5-19)7-6-25(24)30-27(23)33-18-26(32)28-12-20-8-21(13-28)10-22(9-20)14-28/h1-5,11,20-22H,6-10,12-14,16-18H2