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

Systemtic Name: 2-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-2-hydroxy-3-(2-naphthyloxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-2-hydroxy-3-(2-naphthoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H20N2O3S MolecularWeight: 428.5029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC[C@H](CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)O

InChI

InChI=1S/C25H20N2O3S/c28-19(16-30-20-12-11-17-6-1-2-7-18(17)14-20)15-27-25(29)22-9-4-3-8-21(22)24(26-27)23-10-5-13-31-23/h1-14,19,28H,15-16H2/t19-/m0/s1