2-(3-methoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 2-[(3-methoxyphenyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methoxyphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-[(3-methoxyphenyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone Formula: C19H20F3N3O2S MolecularWeight: 411.44121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S/c1-27-15-3-2-4-16(11-15)28-13-18(26)25-9-7-24(8-10-25)17-6-5-14(12-23-17)19(20,21)22/h2-6,11-12H,7-10,13H2,1H3