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

Systemtic Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate diethanoate Openeye Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate diacetate CAS Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate diacetate IUPAC Name: zinc 1,3-benzothiazol-2-yl(phenylazaniumylidene)methanethiolate diacetate Traditional Name: zinc 1,3-benzothiazol-2-yl(phenyliminio)methanethiolate diacetate Formula: C32H26N4O4S4Zn MolecularWeight: 724.24224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].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

CC(=O)[O-].CC(=O)[O-].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/2C14H10N2S2.2C2H4O2.Zn/c2*17-13(15-10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)18-14;2*1-2(3)4;/h2*1-9H,(H,15,17);2*1H3,(H,3,4);/q;;;;+2/p-2