2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-(4-fluorophenyl)-6-phenyl-nicotinonitrile Formula: C28H21FN2O3S MolecularWeight: 484.541343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N)OC

InChI

InChI=1S/C28H21FN2O3S/c1-33-26-13-10-20(14-27(26)34-2)25(32)17-35-28-23(16-30)22(18-8-11-21(29)12-9-18)15-24(31-28)19-6-4-3-5-7-19/h3-15H,17H2,1-2H3