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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]nicotinonitrile Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H17FN2O3S/c1-27-20-10-6-15(11-21(20)28-2)18-9-5-16(12-24)22(25-18)29-13-19(26)14-3-7-17(23)8-4-14/h3-11H,13H2,1-2H3