2-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-16(2)19-11-10-17(3)13-22(19)30-15-18(28)14-27-25(29)21-8-5-4-7-20(21)24(26-27)23-9-6-12-31-23/h4-13,16,18,28H,14-15H2,1-3H3