zinc (3Z)-3-(isoquinolin-3-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide

Systemtic Name: zinc (3Z)-3-(isoquinolin-3-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide Openeye Name: zinc (3Z)-3-(3-isoquinolylmethylene)-1,2-benzothiazol-2-ide 1,1-dioxide CAS Name: zinc (3Z)-3-(3-isoquinolinylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide IUPAC Name: zinc (3Z)-3-(isoquinolin-3-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide Traditional Name: zinc (3Z)-3-(3-isoquinolylmethylene)-1,2-benzothiazol-2-ide 1,1-dioxide Formula: C34H22N4O4S2Zn MolecularWeight: 680.10188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.C1=CC=C2C=NC(=CC2=C1)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2)/C=C/3\[N-]S(=O)(=O)C4=CC=CC=C34.C1=CC=C2C(=C1)C=C(N=C2)/C=C/3\[N-]S(=O)(=O)C4=CC=CC=C34.[Zn+2]

InChI

InChI=1S/2C17H11N2O2S.Zn/c2*20-22(21)17-8-4-3-7-15(17)16(19-22)10-14-9-12-5-1-2-6-13(12)11-18-14;/h2*1-11H;/q2*-1;+2/b2*16-10-;