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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone Formula: C21H20BrNOS MolecularWeight: 414.3586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrNOS/c1-14-4-8-18(9-5-14)23-15(2)12-20(16(23)3)21(24)13-25-19-10-6-17(22)7-11-19/h4-12H,13H2,1-3H3