1-[4-(1-adamantyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(2-pyridylthio)ethanone Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3OS/c25-20(15-26-19-3-1-2-4-22-19)23-5-7-24(8-6-23)21-12-16-9-17(13-21)11-18(10-16)14-21/h1-4,16-18H,5-15H2