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

Systemtic Name: 2-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-2-hydroxy-3-(2-thienylmethoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-2-hydroxy-3-(2-thenyloxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COCC3=CC=CS3)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@@H](COCC3=CC=CS3)O)C4=CC=CS4

InChI

InChI=1S/C20H18N2O3S2/c23-14(12-25-13-15-5-3-9-26-15)11-22-20(24)17-7-2-1-6-16(17)19(21-22)18-8-4-10-27-18/h1-10,14,23H,11-13H2/t14-/m0/s1