2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-fluorophenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-fluorophenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-6-(4-fluorophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-6-(4-fluorophenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-6-(4-fluorophenyl)-4-phenyl-nicotinonitrile Formula: C25H19FN4OS MolecularWeight: 442.507963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H19FN4OS/c1-16-12-17(2)30(29-16)24(31)15-32-25-22(14-27)21(18-6-4-3-5-7-18)13-23(28-25)19-8-10-20(26)11-9-19/h3-13H,15H2,1-2H3