2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(2-bromophenyl)thio]-3-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(2-bromophenyl)thio]-3-(trifluoromethyl)phenyl]prop-2-en-1-one Formula: C22H20BrF3N2O2S MolecularWeight: 513.37061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)C(F)(F)F

InChI

InChI=1S/C22H20BrF3N2O2S/c1-14(21(30)28-11-9-27(10-12-28)15(2)29)16-7-8-19(17(13-16)22(24,25)26)31-20-6-4-3-5-18(20)23/h3-8,13H,1,9-12H2,2H3