1-[4-[4-[4-(4-fluorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[4-(4-fluorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[3-(4-fluorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[4-(4-fluorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[4-(4-fluorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[3-(4-fluorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazino]ethanone Formula: C25H29FN4OS MolecularWeight: 452.587363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)F)CN4C=CN=C4

InChI

InChI=1S/C25H29FN4OS/c1-20(31)29-14-16-30(17-15-29)23-7-10-24(11-8-23)32-25(18-28-13-12-27-19-28)9-4-21-2-5-22(26)6-3-21/h2-3,5-8,10-13,19,25H,4,9,14-18H2,1H3