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

Systemtic Name: 6-phenyl-2-prop-2-enylsulfanyl-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile CAS Name: 6-phenyl-2-(prop-2-enylthio)-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinecarbonitrile IUPAC Name: 6-phenyl-2-prop-2-enylsulfanyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile Traditional Name: 2-(allylthio)-6-phenyl-5-(2,2,2-trifluoroacetyl)nicotinonitrile Formula: C17H11F3N2OS MolecularWeight: 348.34225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N2OS/c1-2-8-24-16-12(10-21)9-13(15(23)17(18,19)20)14(22-16)11-6-4-3-5-7-11/h2-7,9H,1,8H2