2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-15-9-10-16(2)20(12-15)28-14-17(26)13-25-23(27)19-7-4-3-6-18(19)22(24-25)21-8-5-11-29-21/h3-12,17,26H,13-14H2,1-2H3