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

Systemtic Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate Openeye Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate CAS Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate IUPAC Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate Traditional Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate Formula: C28H20N4S4Zn+2 MolecularWeight: 606.1542

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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-].[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-].[Zn+2]

InChI

InChI=1S/2C14H10N2S2.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);/q;;+2