(E)-1-(4-ethoxyphenyl)sulfanyl-4-piperidin-1-yl-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one

Systemtic Name: (E)-1-(4-ethoxyphenyl)sulfanyl-4-piperidin-1-yl-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one Openeye Name: (E)-1-(4-ethoxyphenyl)sulfanyl-4-(1-piperidyl)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one CAS Name: (E)-1-[(4-ethoxyphenyl)thio]-4-(1-piperidinyl)-3-[3-(trifluoromethyl)phenyl]-3-buten-2-one IUPAC Name: (E)-1-(4-ethoxyphenyl)sulfanyl-4-piperidin-1-yl-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one Traditional Name: (E)-4-piperidino-1-(p-phenetylthio)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one Formula: C24H26F3NO2S MolecularWeight: 449.52895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)C(=CN2CCCCC2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)/C(=C/N2CCCCC2)/C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H26F3NO2S/c1-2-30-20-9-11-21(12-10-20)31-17-23(29)22(16-28-13-4-3-5-14-28)18-7-6-8-19(15-18)24(25,26)27/h6-12,15-16H,2-5,13-14,17H2,1H3/b22-16+