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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C20H19F3N2OS MolecularWeight: 392.43787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H19F3N2OS/c1-14(15-7-8-18(27)17(13-15)20(21,22)23)19(26)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13,27H,1,9-12H2