2-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O)C

InChI

InChI=1S/C24H24N2O3S/c1-15-10-11-16(2)23(17(15)3)29-14-18(27)13-26-24(28)20-8-5-4-7-19(20)22(25-26)21-9-6-12-30-21/h4-12,18,27H,13-14H2,1-3H3