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

Systemtic Name: 2-[1,2,3-benzothiadiazol-7-yl(oxidanyl)methylidene]-5-propan-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-isopropyl-cyclohexane-1,3-dione CAS Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-propan-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylidene]-5-propan-2-ylcyclohexane-1,3-dione Traditional Name: 2-[1,2,3-benzothiadiazol-7-yl(hydroxy)methylene]-5-isopropyl-cyclohexane-1,3-quinone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C(=O)C1

Isomeric SMILES

CC(C)C1CC(=O)C(=C(C2=C3C(=CC=C2)N=NS3)O)C(=O)C1

InChI

InChI=1S/C16H16N2O3S/c1-8(2)9-6-12(19)14(13(20)7-9)15(21)10-4-3-5-11-16(10)22-18-17-11/h3-5,8-9,21H,6-7H2,1-2H3