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

Systemtic Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C21H19F3N4O2S/c22-21(23,24)18-13-16(17-7-4-12-30-17)25-20(26-18)31-14-19(29)28-10-8-27(9-11-28)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2