copper 2-methylheptan-2-ylazaniumylidene(quinolin-2-yl)methanethiolate dichloride

Systemtic Name: copper 2-methylheptan-2-ylazaniumylidene(quinolin-2-yl)methanethiolate dichloride Openeye Name: copper 1,1-dimethylhexyliminio(2-quinolyl)methanethiolate dichloride CAS Name: copper 2-methylheptan-2-yliminio(2-quinolinyl)methanethiolate dichloride IUPAC Name: copper 2-methylheptan-2-ylazaniumylidene(quinolin-2-yl)methanethiolate dichloride Traditional Name: cupric 1,1-dimethylhexyliminio(2-quinolyl)methanethiolate dichloride Formula: C36H48Cl2CuN4S2 MolecularWeight: 735.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)[NH+]=C(C1=NC2=CC=CC=C2C=C1)[S-].CCCCCC(C)(C)[NH+]=C(C1=NC2=CC=CC=C2C=C1)[S-].[Cl-].[Cl-].[Cu+2]

Isomeric SMILES

CCCCCC(C)(C)[NH+]=C(C1=NC2=CC=CC=C2C=C1)[S-].CCCCCC(C)(C)[NH+]=C(C1=NC2=CC=CC=C2C=C1)[S-].[Cl-].[Cl-].[Cu+2]

InChI

InChI=1S/2C18H24N2S.2ClH.Cu/c2*1-4-5-8-13-18(2,3)20-17(21)16-12-11-14-9-6-7-10-15(14)19-16;;;/h2*6-7,9-12H,4-5,8,13H2,1-3H3,(H,20,21);2*1H;/q;;;;+2/p-2