1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione

Systemtic Name: 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione Openeye Name: 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione CAS Name: 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione IUPAC Name: 1-pentyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione Traditional Name: 1-amyl-4-[3-(trifluoromethyl)phenyl]piperazine; 1H-pyrimidine-2-thione Formula: C20H27F3N4S MolecularWeight: 412.51539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.C1=CNC(=S)N=C1

Isomeric SMILES

CCCCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.C1=CNC(=S)N=C1

InChI

InChI=1S/C16H23F3N2.C4H4N2S/c1-2-3-4-8-20-9-11-21(12-10-20)15-7-5-6-14(13-15)16(17,18)19;7-4-5-2-1-3-6-4/h5-7,13H,2-4,8-12H2,1H3;1-3H,(H,5,6,7)