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

Systemtic Name: 2-[3-(4-chloranylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(4-chlorophenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(4-chlorophenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(4-chlorophenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(4-chlorophenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCOC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCOC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H17ClN2O2S/c22-15-8-10-16(11-9-15)26-13-4-12-24-21(25)18-6-2-1-5-17(18)20(23-24)19-7-3-14-27-19/h1-3,5-11,14H,4,12-13H2