(E)-3-(4-methylsulfanylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H20N4OS/c1-24-16-6-3-15(4-7-16)5-8-17(23)21-11-13-22(14-12-21)18-19-9-2-10-20-18/h2-10H,11-14H2,1H3/b8-5+