2-[4-[[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-2-phenyl-acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxo-2-phenylethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(3-cyano-6-phenyl-2-pyridyl)thio]-2-phenyl-acetyl]amino]phenyl]cinchoninic acid Formula: C36H24N4O3S MolecularWeight: 592.66576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O

InChI

InChI=1S/C36H24N4O3S/c37-22-26-17-20-30(23-9-3-1-4-10-23)40-35(26)44-33(25-11-5-2-6-12-25)34(41)38-27-18-15-24(16-19-27)32-21-29(36(42)43)28-13-7-8-14-31(28)39-32/h1-21,33H,(H,38,41)(H,42,43)