2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-fluorophenyl)-3-oxo-propyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[3-(4-fluorophenyl)-3-oxopropyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-fluorophenyl)-3-keto-propyl]thio]-6-(3-pyridyl)nicotinonitrile Formula: C20H14FN3OS MolecularWeight: 363.408063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14FN3OS/c21-17-6-3-14(4-7-17)19(25)9-11-26-20-15(12-22)5-8-18(24-20)16-2-1-10-23-13-16/h1-8,10,13H,9,11H2