2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazin-2-yl]ethanol Formula: C22H29FN2O2S MolecularWeight: 404.541263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)SC)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)SC)F

InChI

InChI=1S/C22H29FN2O2S/c1-27-20-6-5-18(22(23)13-20)15-25-11-10-24(16-19(25)9-12-26)14-17-3-7-21(28-2)8-4-17/h3-8,13,19,26H,9-12,14-16H2,1-2H3