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

Systemtic Name: 2-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COCC3=CC=C(C=C3)Cl)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@@H](COCC3=CC=C(C=C3)Cl)O)C4=CC=CS4

InChI

InChI=1S/C22H19ClN2O3S/c23-16-9-7-15(8-10-16)13-28-14-17(26)12-25-22(27)19-5-2-1-4-18(19)21(24-25)20-6-3-11-29-20/h1-11,17,26H,12-14H2/t17-/m0/s1