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

Systemtic Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C18H18BrN3OS/c1-12-9-16(17(23)11-24-18-20-7-8-21(18)3)13(2)22(12)15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3