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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-[(3-fluorophenyl)amino]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(3-fluoroanilino)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(3-fluoroanilino)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(3-fluoroanilino)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(3-fluoroanilino)nicotinonitrile Formula: C24H24FN3OS MolecularWeight: 421.530263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC(=N4)NC5=CC(=CC=C5)F)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC(=N4)NC5=CC(=CC=C5)F)C#N

InChI

InChI=1S/C24H24FN3OS/c25-19-2-1-3-20(9-19)27-22-5-4-18(13-26)23(28-22)30-14-21(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-12,14H2,(H,27,28)