2-(1-adamantylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylsulfanyl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylsulfanyl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-adamantylthio)ethanone Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO2S/c1-11-18(13(3)22)12(2)21-19(11)17(23)10-24-20-7-14-4-15(8-20)6-16(5-14)9-20/h14-16,21H,4-10H2,1-3H3