2-[2-(2,5-dimethylphenoxy)ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H20N2O2S/c1-15-9-10-16(2)19(14-15)26-12-11-24-22(25)18-7-4-3-6-17(18)21(23-24)20-8-5-13-27-20/h3-10,13-14H,11-12H2,1-2H3