1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone

Systemtic Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Openeye Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone CAS Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-hydroxyethylthio)ethanone IUPAC Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Traditional Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylthio)ethanone Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSCCO)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSCCO)C)C

InChI

InChI=1S/C18H23NO2S/c1-12-7-13(2)9-16(8-12)19-14(3)10-17(15(19)4)18(21)11-22-6-5-20/h7-10,20H,5-6,11H2,1-4H3