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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-fluorophenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(4-fluorophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(4-fluorophenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(4-fluorophenyl)-4-phenyl-nicotinonitrile Formula: C30H27FN2OS MolecularWeight: 482.611583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=C(C=C5)F)C6=CC=CC=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=C(C=C5)F)C6=CC=CC=C6)C#N

InChI

InChI=1S/C30H27FN2OS/c31-24-8-6-23(7-9-24)27-13-25(22-4-2-1-3-5-22)26(17-32)29(33-27)35-18-28(34)30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,19-21H,10-12,14-16,18H2