2-[[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-[(2-fluorophenyl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-[(2-fluorophenyl)amino]methylidene]propanedinitrile Openeye Name: 2-[[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-(2-fluoroanilino)methylene]propanedinitrile CAS Name: 2-[[[2-(1-adamantyl)-2-oxoethyl]thio]-(2-fluoroanilino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(1-adamantyl)-2-oxoethyl]sulfanyl-(2-fluoroanilino)methylidene]propanedinitrile Traditional Name: 2-[[[2-(1-adamantyl)-2-keto-ethyl]thio]-(2-fluoroanilino)methylene]malononitrile Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=C(C#N)C#N)NC4=CC=CC=C4F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=C(C#N)C#N)NC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3OS/c23-18-3-1-2-4-19(18)26-21(17(11-24)12-25)28-13-20(27)22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,14-16,26H,5-10,13H2