4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-olate

Systemtic Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-olate Openeye Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-cyclobuten-1-olate CAS Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-1-cyclobutenolate IUPAC Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate Traditional Name: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-keto-cyclobuten-1-olate Formula: C24H20N2O2S2 MolecularWeight: 432.5578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5S4)CC)C3=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5S4)CC)C3=O)[O-]

InChI

InChI=1S/C24H20N2O2S2/c1-3-25-17-9-5-7-11-19(17)29-21(25)13-15-23(27)16(24(15)28)14-22-26(4-2)18-10-6-8-12-20(18)30-22/h5-14H,3-4H2,1-2H3