2-(1-adamantylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H27NOS MolecularWeight: 317.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H27NOS/c1-12-4-17(13(2)20(12)3)18(21)11-22-19-8-14-5-15(9-19)7-16(6-14)10-19/h4,14-16H,5-11H2,1-3H3