zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate dichloride

Systemtic Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate dichloride Openeye Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate dichloride CAS Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate dichloride IUPAC Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate dichloride Traditional Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate dichloride Formula: C28H20Cl2N4S4Zn MolecularWeight: 677.0602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].C1=CC=C(C=C1)[NH+]=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C14H10N2S2.2ClH.Zn/c2*17-13(15-10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)18-14;;;/h2*1-9H,(H,15,17);2*1H;/q;;;;+2/p-2