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

Systemtic Name: 1-pyrrolidin-1-yl-2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylphenyl]sulfanyl-ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]sulfanyl-ethanone CAS Name: 2-[[2-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]sulfanylethanone Traditional Name: 1-pyrrolidino-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]thio]ethanone Formula: C23H25F3N4O2S MolecularWeight: 478.53041

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H25F3N4O2S/c24-23(25,26)17-7-8-20(27-15-17)28-11-13-30(14-12-28)22(32)18-5-1-2-6-19(18)33-16-21(31)29-9-3-4-10-29/h1-2,5-8,15H,3-4,9-14,16H2