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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-fluorophenyl)thio]ethanone Formula: C21H18FNO3S MolecularWeight: 383.435923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO3S/c1-13-9-18(19(24)11-27-17-6-3-15(22)4-7-17)14(2)23(13)16-5-8-20-21(10-16)26-12-25-20/h3-10H,11-12H2,1-2H3