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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3OS/c22-18-8-5-15(6-9-18)20(26)4-2-12-27-21-16(13-23)7-10-19(25-21)17-3-1-11-24-14-17/h1,3,5-11,14H,2,4,12H2