(E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(trifluoromethylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-pyrimidyl)piperazino]-3-[4-(trifluoromethylthio)phenyl]prop-2-en-1-one Formula: C18H17F3N4OS MolecularWeight: 394.41399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H17F3N4OS/c19-18(20,21)27-15-5-2-14(3-6-15)4-7-16(26)24-10-12-25(13-11-24)17-22-8-1-9-23-17/h1-9H,10-13H2/b7-4+