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

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C22H22BrNOS MolecularWeight: 428.38518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C22H22BrNOS/c1-14-5-10-20(11-15(14)2)26-13-22(25)21-12-16(3)24(17(21)4)19-8-6-18(23)7-9-19/h5-12H,13H2,1-4H3