1-[(3E)-3-[7-fluoranyl-2-(trifluoromethyl)phenoxathiin-10-ylidene]propyl]-4-methyl-piperazine

Systemtic Name: 1-[(3E)-3-[7-fluoranyl-2-(trifluoromethyl)phenoxathiin-10-ylidene]propyl]-4-methyl-piperazine Openeye Name: 1-[(3E)-3-[7-fluoro-2-(trifluoromethyl)phenoxathiin-10-ylidene]propyl]-4-methyl-piperazine CAS Name: 1-[(3E)-3-[7-fluoro-2-(trifluoromethyl)-10-phenoxathiinylidene]propyl]-4-methylpiperazine IUPAC Name: 1-[(3E)-3-[7-fluoro-2-(trifluoromethyl)phenoxathiin-10-ylidene]propyl]-4-methylpiperazine Traditional Name: 1-[(3E)-3-[7-fluoro-2-(trifluoromethyl)phenoxathiin-10-ylidene]propyl]-4-methyl-piperazine Formula: C21H22F4N2OS MolecularWeight: 426.470793

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC=S2C3=C(C=C(C=C3)F)OC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)CC/C=S/2\C3=C(C=C(C=C3)F)OC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F4N2OS/c1-26-8-10-27(11-9-26)7-2-12-29-19-6-4-16(22)14-18(19)28-17-5-3-15(13-20(17)29)21(23,24)25/h3-6,12-14H,2,7-11H2,1H3