2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(3-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(3-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(3-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-(3-fluorophenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-phenyl-nicotinonitrile Formula: C24H21FN2OS MolecularWeight: 404.499743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)F)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C24H21FN2OS/c1-24(2,3)22(28)15-29-23-20(14-26)19(17-10-7-11-18(25)12-17)13-21(27-23)16-8-5-4-6-9-16/h4-13H,15H2,1-3H3