2-[2-(1-adamantyl)ethylsulfanyl]-4-methyl-quinoline

Systemtic Name: 2-[2-(1-adamantyl)ethylsulfanyl]-4-methyl-quinoline Openeye Name: 2-[2-(1-adamantyl)ethylsulfanyl]-4-methyl-quinoline CAS Name: 2-[2-(1-adamantyl)ethylthio]-4-methylquinoline IUPAC Name: 2-[2-(1-adamantyl)ethylsulfanyl]-4-methylquinoline Traditional Name: 2-[2-(1-adamantyl)ethylthio]-4-methyl-quinoline Formula: C22H27NS MolecularWeight: 337.52148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NS/c1-15-8-21(23-20-5-3-2-4-19(15)20)24-7-6-22-12-16-9-17(13-22)11-18(10-16)14-22/h2-5,8,16-18H,6-7,9-14H2,1H3