1-(1-adamantyl)-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-(1-adamantyl)-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(1-adamantyl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(1-adamantyl)-2-(2-quinolylthio)ethanone Formula: C21H23NOS MolecularWeight: 337.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H23NOS/c23-19(21-10-14-7-15(11-21)9-16(8-14)12-21)13-24-20-6-5-17-3-1-2-4-18(17)22-20/h1-6,14-16H,7-13H2