2-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C25H24N2O4S/c1-17(28)8-9-18-10-12-20(13-11-18)31-16-19(29)15-27-25(30)22-6-3-2-5-21(22)24(26-27)23-7-4-14-32-23/h2-7,10-14,19,29H,8-9,15-16H2,1H3