6-tert-butyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[4-keto-4-(2-thienyl)butyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C19H19F3N2OS2 MolecularWeight: 412.49217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C19H19F3N2OS2/c1-18(2,3)16-10-13(19(20,21)22)12(11-23)17(24-16)27-9-4-6-14(25)15-7-5-8-26-15/h5,7-8,10H,4,6,9H2,1-3H3