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

Systemtic Name: 2-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c1-15(26)16-8-10-18(11-9-16)29-14-17(27)13-25-23(28)20-6-3-2-5-19(20)22(24-25)21-7-4-12-30-21/h2-12,17,27H,13-14H2,1H3