1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole nitrate

Systemtic Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole nitrate Openeye Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole nitrate CAS Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole nitrate IUPAC Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanylethyl]imidazole nitrate Traditional Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole nitrate Formula: C21H24Cl2N3O3S- MolecularWeight: 469.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SC5=CC(=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SC5=CC(=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H24Cl2N2S.NO3/c22-18-2-1-17(8-19(18)23)26-20(12-25-4-3-24-13-25)21-9-14-5-15(10-21)7-16(6-14)11-21;2-1(3)4/h1-4,8,13-16,20H,5-7,9-12H2;/q;-1