1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 2-(2-pyrimidylthio)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c23-17(15-26-18-19-8-4-9-20-18)21-10-12-22(13-11-21)27(24,25)14-7-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/b14-7+