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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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