1-(1,3-benzothiazol-2-yl)-7-(phenylmethylidene)-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-dione

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-7-(phenylmethylidene)-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-dione Openeye Name: 1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-dione CAS Name: 1-(1,3-benzothiazol-2-yl)-7-(phenylmethylene)-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-dione IUPAC Name: 1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-dione Traditional Name: 7-benzal-1-(1,3-benzothiazol-2-yl)-5,6-dihydrocyclopenta[c]pyridazin-1-ium-3,4-quinone Formula: C21H14N3O2S+ MolecularWeight: 372.41976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1=CC3=CC=CC=C3)[N+](=NC(=O)C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(C1=CC3=CC=CC=C3)[N+](=NC(=O)C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H14N3O2S/c25-19-15-11-10-14(12-13-6-2-1-3-7-13)18(15)24(23-20(19)26)21-22-16-8-4-5-9-17(16)27-21/h1-9,12H,10-11H2/q+1