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

Systemtic Name: 2-butylsulfanyl-6-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile CAS Name: 2-(butylthio)-6-phenyl-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile Traditional Name: 2-(butylthio)-6-phenyl-5-(2,2,2-trifluoroacetyl)nicotinonitrile Formula: C18H15F3N2OS MolecularWeight: 364.38471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C18H15F3N2OS/c1-2-3-9-25-17-13(11-22)10-14(16(24)18(19,20)21)15(23-17)12-7-5-4-6-8-12/h4-8,10H,2-3,9H2,1H3