2-ethylsulfanyl-6-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile

Systemtic Name: 2-ethylsulfanyl-6-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-ethylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile CAS Name: 2-(ethylthio)-6-phenyl-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinecarbonitrile IUPAC Name: 2-ethylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile Traditional Name: 2-(ethylthio)-6-phenyl-5-(2,2,2-trifluoroacetyl)nicotinonitrile Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C16H11F3N2OS/c1-2-23-15-11(9-20)8-12(14(22)16(17,18)19)13(21-15)10-6-4-3-5-7-10/h3-8H,2H2,1H3