copper phenylazaniumylidene(quinolin-2-yl)methanethiolate dibromide

Systemtic Name: copper phenylazaniumylidene(quinolin-2-yl)methanethiolate dibromide Openeye Name: copper phenyliminio(2-quinolyl)methanethiolate dibromide CAS Name: copper phenyliminio(2-quinolinyl)methanethiolate dibromide IUPAC Name: copper phenylazaniumylidene(quinolin-2-yl)methanethiolate dibromide Traditional Name: cupric phenyliminio(2-quinolyl)methanethiolate dibromide Formula: C32H24Br2CuN4S2 MolecularWeight: 752.04376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3C=C2)[S-].C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3C=C2)[S-].[Cu+2].[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3C=C2)[S-].C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3C=C2)[S-].[Cu+2].[Br-].[Br-]

InChI

InChI=1S/2C16H12N2S.2BrH.Cu/c2*19-16(17-13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18-15;;;/h2*1-11H,(H,17,19);2*1H;/q;;;;+2/p-2