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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-bromophenyl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-bromophenyl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-bromophenyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-bromophenyl)sulfanylethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C22H20BrNO3S MolecularWeight: 458.3681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrNO3S/c1-14-9-19(20(25)12-28-18-6-4-17(23)5-7-18)15(2)24(14)11-16-3-8-21-22(10-16)27-13-26-21/h3-10H,11-13H2,1-2H3