1-adamantyl-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: 1-adamantyl-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: 1-adamantyl-[2-[(3-chlorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: 1-adamantyl-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: 1-adamantyl-[2-[(3-chlorobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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