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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylthio)ethanone Formula: C16H17NO2S MolecularWeight: 287.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H17NO2S/c1-10-15(12(3)18)11(2)17-16(10)14(19)9-20-13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3