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

Systemtic Name: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-naphthalen-1-yl-ethyl]imidazole nitrate Openeye Name: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-(1-naphthyl)ethyl]imidazole nitrate CAS Name: 1-[2-[(3,4-dichlorophenyl)thio]-2-(1-naphthalenyl)ethyl]imidazole nitrate IUPAC Name: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-naphthalen-1-ylethyl]imidazole nitrate Traditional Name: 1-[2-[(3,4-dichlorophenyl)thio]-2-(1-naphthyl)ethyl]imidazole nitrate Formula: C21H16Cl2N3O3S- MolecularWeight: 461.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(CN3C=CN=C3)SC4=CC(=C(C=C4)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(CN3C=CN=C3)SC4=CC(=C(C=C4)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H16Cl2N2S.NO3/c22-19-9-8-16(12-20(19)23)26-21(13-25-11-10-24-14-25)18-7-3-5-15-4-1-2-6-17(15)18;2-1(3)4/h1-12,14,21H,13H2;/q;-1