2-[1,2,3-benzothiadiazol-7-yl(oxidanyl)methylidene]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1,2,3-benzothiadiazol-7-yl(oxidanyl)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C1=O)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C1=O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N2O3S/c22-15-9-12(11-5-2-1-3-6-11)10-16(23)17(15)18(24)13-7-4-8-14-19(13)25-21-20-14/h1-8,12,24H,9-10H2