1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[2,5-bis(chloranyl)phenyl]sulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[2,5-bis(chloranyl)phenyl]sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2,5-dichlorophenyl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[(2,5-dichlorophenyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(2,5-dichlorophenyl)sulfanylethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2,5-dichlorophenyl)thio]ethanone Formula: C21H17Cl2NO3S MolecularWeight: 434.33558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO3S/c1-12-7-16(18(25)10-28-21-8-14(22)3-5-17(21)23)13(2)24(12)15-4-6-19-20(9-15)27-11-26-19/h3-9H,10-11H2,1-2H3