2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C24H19F3N4OS MolecularWeight: 468.49407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C24H19F3N4OS/c25-24(26,27)18-9-10-22(29-16-18)30-11-13-31(14-12-30)23(32)19-6-2-4-8-21(19)33-20-7-3-1-5-17(20)15-28/h1-10,16H,11-14H2