1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-(2-quinolylthio)ethanone Formula: C21H18ClF3N4OS MolecularWeight: 466.90703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18ClF3N4OS/c22-16-11-15(21(23,24)25)12-26-20(16)29-9-7-28(8-10-29)19(30)13-31-18-6-5-14-3-1-2-4-17(14)27-18/h1-6,11-12H,7-10,13H2