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

Systemtic Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-thioxo-1H-pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-sulfanylidene-1H-pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2-thioxo-1H-pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C17H16F3N3O4S2 MolecularWeight: 447.45185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O4S2/c18-17(19,20)27-12-3-5-13(6-4-12)29(25,26)23-10-8-22(9-11-23)16(24)14-2-1-7-21-15(14)28/h1-7H,8-11H2,(H,21,28)