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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C18H18F3N3OS MolecularWeight: 381.41523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3OS/c19-18(20,21)14-6-7-16(22-12-14)26-13-17(25)24-10-8-23(9-11-24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2