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

Systemtic Name: 2-butylsulfanyl-6-thiophen-2-yl-5-[2,2,2-tris(fluoranyl)ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-6-(2-thienyl)-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile CAS Name: 2-(butylthio)-6-thiophen-2-yl-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)pyridine-3-carbonitrile Traditional Name: 2-(butylthio)-6-(2-thienyl)-5-(2,2,2-trifluoroacetyl)nicotinonitrile Formula: C16H13F3N2OS2 MolecularWeight: 370.41243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CS2

Isomeric SMILES

CCCCSC1=NC(=C(C=C1C#N)C(=O)C(F)(F)F)C2=CC=CS2

InChI

InChI=1S/C16H13F3N2OS2/c1-2-3-6-24-15-10(9-20)8-11(14(22)16(17,18)19)13(21-15)12-5-4-7-23-12/h4-5,7-8H,2-3,6H2,1H3