2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C23H16F4N2OS MolecularWeight: 444.444553

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H16F4N2OS/c24-17-10-8-16(9-11-17)21(30)7-4-12-31-22-18(14-28)19(23(25,26)27)13-20(29-22)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2