2-[(2S)-2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(2S)-2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C20H15ClN2O2S MolecularWeight: 382.8633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O2S/c21-14-9-7-13(8-10-14)17(24)12-23-20(25)16-5-2-1-4-15(16)19(22-23)18-6-3-11-26-18/h1-11,17,24H,12H2/t17-/m1/s1