6-(1-adamantyl)-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]nicotinonitrile Formula: C24H23FN2OS MolecularWeight: 406.515623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H23FN2OS/c25-20-4-1-18(2-5-20)21(28)14-29-23-19(13-26)3-6-22(27-23)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-6,15-17H,7-12,14H2