zinc (3Z)-3-[(6-chloranylquinolin-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide

Systemtic Name: zinc (3Z)-3-[(6-chloranylquinolin-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide Openeye Name: zinc (3Z)-3-[(6-chloro-2-quinolyl)methylene]-1,2-benzothiazol-2-ide 1,1-dioxide CAS Name: zinc (3Z)-3-[(6-chloro-2-quinolinyl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide IUPAC Name: zinc (3Z)-3-[(6-chloroquinolin-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide Traditional Name: zinc (3Z)-3-[(6-chloro-2-quinolyl)methylene]-1,2-benzothiazol-2-ide 1,1-dioxide Formula: C34H20Cl2N4O4S2Zn MolecularWeight: 748.992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=NC4=C(C=C3)C=C(C=C4)Cl)[N-]S2(=O)=O.C1=CC=C2C(=C1)C(=CC3=NC4=C(C=C3)C=C(C=C4)Cl)[N-]S2(=O)=O.[Zn+2]

Isomeric SMILES

C1=CC=C2S(=O)(=O)[N-]/C(=C\C3=NC4=C(C=C(C=C4)Cl)C=C3)/C2=C1.C1=CC=C2S(=O)(=O)[N-]/C(=C\C3=NC4=C(C=C(C=C4)Cl)C=C3)/C2=C1.[Zn+2]

InChI

InChI=1S/2C17H10ClN2O2S.Zn/c2*18-12-6-8-15-11(9-12)5-7-13(19-15)10-16-14-3-1-2-4-17(14)23(21,22)20-16;/h2*1-10H;/q2*-1;+2/b2*16-10-;