2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-4-[3-(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(=CC=C3)SC)F

Isomeric SMILES

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

InChI

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