2-[3-[2,5-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[3-[2,5-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2O3S/c22-13-7-8-17(23)18(10-13)28-12-14(26)11-25-21(27)16-5-2-1-4-15(16)20(24-25)19-6-3-9-29-19/h1-10,14,26H,11-12H2