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

Systemtic Name: 1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: 1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: 1-adamantyl-[2-[(4-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: 1-adamantyl-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: 1-adamantyl-[2-[(4-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O3S/c25-19(21-10-15-7-16(11-21)9-17(8-15)12-21)23-6-5-22-20(23)28-13-14-1-3-18(4-2-14)24(26)27/h1-4,15-17H,5-13H2