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

Systemtic Name: 2-[3-(4-methylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C22H20N2O3S/c1-15-8-10-17(11-9-15)27-14-16(25)13-24-22(26)19-6-3-2-5-18(19)21(23-24)20-7-4-12-28-20/h2-12,16,25H,13-14H2,1H3