3-[2-[(3S)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3S)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3S)-5-(5-methyl-2-furyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3S)-5-(5-methyl-2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3S)-5-(5-methylfuran-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(5S)-3-(5-methyl-2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]ethyl]phthalazine-1-carboxylic acid Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(C2)C3=CC=CS3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)C2=NN([C@@H](C2)C3=CC=CS3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C23H18N4O5S/c1-13-8-9-18(32-13)16-11-17(19-7-4-10-33-19)27(24-16)20(28)12-26-22(29)15-6-3-2-5-14(15)21(25-26)23(30)31/h2-10,17H,11-12H2,1H3,(H,30,31)/t17-/m0/s1