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

Systemtic Name: 2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H15F3N2OS2 MolecularWeight: 432.48181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H15F3N2OS2/c22-21(23,24)16-12-17(14-6-2-1-3-7-14)26-20(15(16)13-25)29-11-4-8-18(27)19-9-5-10-28-19/h1-3,5-7,9-10,12H,4,8,11H2