(2-sulfanylidene-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-thioxo-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2-thioxo-1H-pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C17H16F3N3O3S2 MolecularWeight: 431.45245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3S2/c18-17(19,20)12-3-1-4-13(11-12)28(25,26)23-9-7-22(8-10-23)16(24)14-5-2-6-21-15(14)27/h1-6,11H,7-10H2,(H,21,27)