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

Systemtic Name: 2-[[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-phenylazanyl-methylidene]propanedinitrile Openeye Name: 2-[[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-anilino-methylene]propanedinitrile CAS Name: 2-[[[2-(1-adamantyl)-2-oxoethyl]thio]-anilinomethylidene]propanedinitrile IUPAC Name: 2-[[2-(1-adamantyl)-2-oxoethyl]sulfanyl-anilinomethylidene]propanedinitrile Traditional Name: 2-[[[2-(1-adamantyl)-2-keto-ethyl]thio]-anilino-methylene]malononitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=C(C#N)C#N)NC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=C(C#N)C#N)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c23-12-18(13-24)21(25-19-4-2-1-3-5-19)27-14-20(26)22-9-15-6-16(10-22)8-17(7-15)11-22/h1-5,15-17,25H,6-11,14H2