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

Systemtic Name: 2-[4-(3-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(3-bromophenyl)thio]-3-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3-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=C3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Br)C(F)(F)F

InChI

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