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

Systemtic Name: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H17BrN2O3S MolecularWeight: 457.34028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC=C(C=C3)Br)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC=C(C=C3)Br)O)C4=CC=CS4

InChI

InChI=1S/C21H17BrN2O3S/c22-14-7-9-16(10-8-14)27-13-15(25)12-24-21(26)18-5-2-1-4-17(18)20(23-24)19-6-3-11-28-19/h1-11,15,25H,12-13H2