4-[1-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-[(4-fluorophenyl)thio]ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-[(4-fluorophenyl)thio]ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H34FN3S MolecularWeight: 439.631663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C26H34FN3S/c1-3-4-5-6-26(22-7-8-23(20-28)21(2)19-22)30-15-13-29(14-16-30)17-18-31-25-11-9-24(27)10-12-25/h7-12,19,26H,3-6,13-18H2,1-2H3