1-(1-methylpyrrol-3-yl)-2-(4-propan-2-ylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(1-methylpyrrol-3-yl)-2-(4-propan-2-ylphenyl)sulfanyl-ethanone Openeye Name: 2-(4-isopropylphenyl)sulfanyl-1-(1-methylpyrrol-3-yl)ethanone CAS Name: 1-(1-methyl-3-pyrrolyl)-2-[(4-propan-2-ylphenyl)thio]ethanone IUPAC Name: 1-(1-methylpyrrol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanone Traditional Name: 1-(1-methylpyrrol-3-yl)-2-(p-cumenylthio)ethanone Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(=O)C2=CN(C=C2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC(=O)C2=CN(C=C2)C

InChI

InChI=1S/C16H19NOS/c1-12(2)13-4-6-15(7-5-13)19-11-16(18)14-8-9-17(3)10-14/h4-10,12H,11H2,1-3H3