5-azanyl-4-chloranyl-2-phenyl-pyridazin-3-one; (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Systemtic Name: 5-azanyl-4-chloranyl-2-phenyl-pyridazin-3-one; (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate Openeye Name: 5-amino-4-chloro-2-phenyl-pyridazin-3-one; (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) methanesulfonate CAS Name: 5-amino-4-chloro-2-phenyl-3-pyridazinone; methanesulfonic acid (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: 5-amino-4-chloro-2-phenylpyridazin-3-one; (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate Traditional Name: 5-amino-4-chloro-2-phenyl-pyridazin-3-one; methanesulfonic acid (2-ethoxy-3,3-dimethyl-coumaran-5-yl) ester Formula: C23H26ClN3O6S MolecularWeight: 507.98704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl

Isomeric SMILES

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl

InChI

InChI=1S/C13H18O5S.C10H8ClN3O/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12;11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h6-8,12H,5H2,1-4H3;1-6H,12H2