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

Systemtic Name: 2-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C18H16F3N5O3S2 MolecularWeight: 471.47655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H16F3N5O3S2/c19-18(20,21)15-5-6-23-17(24-15)30-12-16(27)25-7-9-26(10-8-25)31(28,29)14-4-2-1-3-13(14)11-22/h1-6H,7-10,12H2