(2-phenylsulfanylpyridin-3-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C22H19F3N4OS MolecularWeight: 444.47267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19F3N4OS/c23-22(24,25)16-8-9-19(27-15-16)28-11-13-29(14-12-28)21(30)18-7-4-10-26-20(18)31-17-5-2-1-3-6-17/h1-10,15H,11-14H2