2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S2/c1-20-18-23(22-10-6-3-7-11-22)27-25(26-20)33-19-24(30)28-13-15-29(16-14-28)34(31,32)17-12-21-8-4-2-5-9-21/h2-12,17-18H,13-16,19H2,1H3/b17-12+