2-(1-adamantylsulfanyl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-(1-adamantylthio)-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-(1-adamantylthio)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O2S/c24-19(17-8-18(22-12-17)20(25)23-3-1-2-4-23)13-26-21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12,14-16,22H,1-7,9-11,13H2