dizinc (3Z)-3-(quinolin-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride

Systemtic Name: dizinc (3Z)-3-(quinolin-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride Openeye Name: dizinc (3Z)-3-(2-quinolylmethylene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride CAS Name: dizinc (3Z)-3-(2-quinolinylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride IUPAC Name: dizinc (3Z)-3-(quinolin-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride Traditional Name: dizinc (3Z)-3-(2-quinolylmethylene)-1,2-benzothiazol-2-ide 1,1-dioxide dichloride Formula: C34H22Cl2N4O4S2Zn2 MolecularWeight: 816.41688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.C1=CC=C2C(=C1)C=CC(=N2)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.[Cl-].[Cl-].[Zn+2].[Zn+2]

Isomeric SMILES

C1=CC=C2N=C(C=CC2=C1)/C=C/3\[N-]S(=O)(=O)C4=CC=CC=C34.C1=CC=C2N=C(C=CC2=C1)/C=C/3\[N-]S(=O)(=O)C4=CC=CC=C34.[Cl-].[Cl-].[Zn+2].[Zn+2]

InChI

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