1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-(o-tolylthio)ethanone Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O2S/c1-16-5-3-4-6-20(16)27-15-21(25)24-11-9-23(10-12-24)14-17-7-8-19(26-2)18(22)13-17/h3-8,13H,9-12,14-15H2,1-2H3