2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(3E)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]-1-(4-methylpiperazino)ethanone Formula: C25H27FN2O2S MolecularWeight: 438.557483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCN(CC4)C

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H27FN2O2S/c1-17-22(14-18-4-7-20(8-5-18)31(3)30)21-9-6-19(26)15-24(21)23(17)16-25(29)28-12-10-27(2)11-13-28/h4-9,14-15H,10-13,16H2,1-3H3/b22-14+