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

Systemtic Name: 3-[(6-ethanethioyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl)oxy]-1H-pyridazin-6-one Openeye Name: 3-(6-ethanethioyl-3-hydroxy-2,2,3-trimethyl-chroman-4-yl)oxy-1H-pyridazin-6-one CAS Name: 3-[[3-hydroxy-2,2,3-trimethyl-6-(1-sulfanylideneethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[(6-ethanethioyl-3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)oxy]-1H-pyridazin-6-one Traditional Name: 3-(3-hydroxy-2,2,3-trimethyl-6-thioacetyl-chroman-4-yl)oxy-1H-pyridazin-6-one Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C1=CC2=C(C=C1)OC(C(C2OC3=NNC(=O)C=C3)(C)O)(C)C

Isomeric SMILES

CC(=S)C1=CC2=C(C=C1)OC(C(C2OC3=NNC(=O)C=C3)(C)O)(C)C

InChI

InChI=1S/C18H20N2O4S/c1-10(25)11-5-6-13-12(9-11)16(18(4,22)17(2,3)24-13)23-15-8-7-14(21)19-20-15/h5-9,16,22H,1-4H3,(H,19,21)