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

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

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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=C3F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3F)C#N)OC

InChI

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