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

Systemtic Name: 2-(4-bromophenyl)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-(4-bromophenyl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-bromophenyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-bromophenyl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-bromophenyl)thio]ethanone Formula: C16H16BrNO2S MolecularWeight: 366.27274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO2S/c1-9-15(11(3)19)10(2)18-16(9)14(20)8-21-13-6-4-12(17)5-7-13/h4-7,18H,8H2,1-3H3