2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C19H17F3N4O3S2 MolecularWeight: 470.48849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H17F3N4O3S2/c20-19(21,22)15-5-6-17(24-12-15)30-13-18(27)25-7-9-26(10-8-25)31(28,29)16-4-2-1-3-14(16)11-23/h1-6,12H,7-10,13H2