2-(4-ethoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-ethoxyphenyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(p-phenetylthio)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone Formula: C20H22F3N3O2S MolecularWeight: 425.46779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S/c1-2-28-16-4-6-17(7-5-16)29-14-19(27)26-11-9-25(10-12-26)18-8-3-15(13-24-18)20(21,22)23/h3-8,13H,2,9-12,14H2,1H3