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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-chlorophenyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-chlorophenyl)sulfanylethanone Traditional Name: 2-[(2-chlorophenyl)thio]-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClNO3S/c1-14-9-17(19(25)12-28-22-6-4-3-5-18(22)23)15(2)24(14)11-16-7-8-20-21(10-16)27-13-26-20/h3-10H,11-13H2,1-2H3