1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-hydroxyethylthio)ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Traditional Name: 1-[1-(3,4-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=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSCCO)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2S/c1-12-5-6-16(9-13(12)2)19-14(3)10-17(15(19)4)18(21)11-22-8-7-20/h5-6,9-10,20H,7-8,11H2,1-4H3