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

Systemtic Name: 2-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C23H22N2O4S/c1-2-28-17-9-11-18(12-10-17)29-15-16(26)14-25-23(27)20-7-4-3-6-19(20)22(24-25)21-8-5-13-30-21/h3-13,16,26H,2,14-15H2,1H3