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

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-pyridin-4-yl-pyridine-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-6-(4-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-pyridin-4-yl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-6-pyridin-4-ylpyridine-3-carbonitrile Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-6-(4-pyridyl)nicotinonitrile Formula: C21H16FN3OS MolecularWeight: 377.434643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)F

InChI

InChI=1S/C21H16FN3OS/c22-18-6-3-16(4-7-18)20(26)2-1-13-27-21-17(14-23)5-8-19(25-21)15-9-11-24-12-10-15/h3-12H,1-2,13H2