2-[(1-oxidanylidenephthalazin-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(1-oxidanylidenephthalazin-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(1-oxophthalazin-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(1-oxo-2-phthalazinyl)methyl]-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(1-oxophthalazin-2-yl)methyl]-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(1-ketophthalazin-2-yl)methyl]-5-[(4-phenylphenyl)thio]cyclopentanecarboxylic acid Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)C3=CC=CC=C3C=N2)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3C=N2)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3S/c30-26-23-9-5-4-8-20(23)16-28-29(26)17-21-12-15-24(25(21)27(31)32)33-22-13-10-19(11-14-22)18-6-2-1-3-7-18/h1-11,13-14,16,21,24-25H,12,15,17H2,(H,31,32)