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

Systemtic Name: 2-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC[C@H](CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)O

InChI

InChI=1S/C27H22N2O3S/c30-21(18-32-22-14-12-20(13-15-22)19-7-2-1-3-8-19)17-29-27(31)24-10-5-4-9-23(24)26(28-29)25-11-6-16-33-25/h1-16,21,30H,17-18H2/t21-/m0/s1