butylsulfanyl-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-methanone nitrate

Systemtic Name: butylsulfanyl-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-methanone nitrate Openeye Name: butylsulfanyl-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanyl-methanone nitrate CAS Name: (butylthio)-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]methanone nitrate IUPAC Name: butylsulfanyl-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanone nitrate Traditional Name: (butylthio)-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]methanone nitrate Formula: C16H18Cl2N3O4S2- MolecularWeight: 451.36782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCSC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H18Cl2N2OS2.NO3/c1-2-3-8-22-16(21)23-15(10-20-7-6-19-11-20)13-5-4-12(17)9-14(13)18;2-1(3)4/h4-7,9,11,15H,2-3,8,10H2,1H3;/q;-1