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

Systemtic Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Openeye Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone CAS Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-hydroxyethylthio)ethanone IUPAC Name: 1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-hydroxyethylsulfanyl)ethanone Traditional Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-hydroxyethylthio)ethanone Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSCCO

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSCCO

InChI

InChI=1S/C16H18BrNO2S/c1-11-8-15(16(20)10-21-7-6-19)12(2)18(11)14-5-3-4-13(17)9-14/h3-5,8-9,19H,6-7,10H2,1-2H3