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

Systemtic Name: 6-phenyl-2-(phenylmethylsulfanyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile CAS Name: 6-phenyl-2-(phenylmethylthio)-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-phenyl-5-(2,2,2-trifluoroacetyl)nicotinonitrile Formula: C21H13F3N2OS MolecularWeight: 398.40093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(C=C2C#N)C(=O)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(C=C2C#N)C(=O)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H13F3N2OS/c22-21(23,24)19(27)17-11-16(12-25)20(28-13-14-7-3-1-4-8-14)26-18(17)15-9-5-2-6-10-15/h1-11H,13H2