3-[(2,2,3-trimethyl-6-methylsulfinyl-3-oxidanyl-4H-chromen-4-yl)oxy]-1H-pyridazin-6-one

Systemtic Name: 3-[(2,2,3-trimethyl-6-methylsulfinyl-3-oxidanyl-4H-chromen-4-yl)oxy]-1H-pyridazin-6-one Openeye Name: 3-(3-hydroxy-2,2,3-trimethyl-6-methylsulfinyl-chroman-4-yl)oxy-1H-pyridazin-6-one CAS Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-methylsulfinyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-1H-pyridazin-6-one IUPAC Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-methylsulfinyl-4H-chromen-4-yl)oxy]-1H-pyridazin-6-one Traditional Name: 3-(3-hydroxy-2,2,3-trimethyl-6-methylsulfinyl-chroman-4-yl)oxy-1H-pyridazin-6-one Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)C)OC3=NNC(=O)C=C3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)C)OC3=NNC(=O)C=C3)(C)O)C

InChI

InChI=1S/C17H20N2O5S/c1-16(2)17(3,21)15(23-14-8-7-13(20)18-19-14)11-9-10(25(4)22)5-6-12(11)24-16/h5-9,15,21H,1-4H3,(H,18,20)