6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[(3-fluorobenzyl)thio]nicotinonitrile Formula: C21H17FN2O2S MolecularWeight: 380.435283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C21H17FN2O2S/c1-25-19-9-7-15(11-20(19)26-2)18-8-6-16(12-23)21(24-18)27-13-14-4-3-5-17(22)10-14/h3-11H,13H2,1-2H3