2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H23F3N4O2S MolecularWeight: 488.52523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O2S/c1-33-19-9-7-17(8-10-19)20-15-21(24(25,26)27)29-23(28-20)34-16-22(32)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3