[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-[4-(trifluoromethylthio)phenyl]methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-[4-(trifluoromethylthio)phenyl]methanone Formula: C20H20F4N2O2S MolecularWeight: 428.443613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F)F

InChI

InChI=1S/C20H20F4N2O2S/c1-28-18-7-2-14(12-17(18)21)13-25-8-10-26(11-9-25)19(27)15-3-5-16(6-4-15)29-20(22,23)24/h2-7,12H,8-11,13H2,1H3