3-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]adamantane-1-carboxamide Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C21H25ClN2OS/c22-21-10-15-7-16(11-21)9-20(8-15,14-21)19(25)24-5-6-26-13-18-4-2-1-3-17(18)12-23/h1-4,15-16H,5-11,13-14H2,(H,24,25)