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

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2,5-dimethylphenyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dimethylphenyl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2,5-dimethylphenyl)thio]ethanone Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C18H21NO2S/c1-10-6-7-11(2)16(8-10)22-9-15(21)18-12(3)17(14(5)20)13(4)19-18/h6-8,19H,9H2,1-5H3