1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4OS/c1-15(28)19-21(24-20(25-22(19)29)16-5-3-2-4-6-16)27-13-11-26(12-14-27)18-9-7-17(23)8-10-18/h2-10H,11-14H2,1H3,(H,24,25,29)