2-[4-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propanoylamino]phenyl]cinchoninic acid Formula: C37H26N4O3S MolecularWeight: 606.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C37H26N4O3S/c1-23(45-36-31(22-38)29(24-10-4-2-5-11-24)20-34(41-36)25-12-6-3-7-13-25)35(42)39-27-18-16-26(17-19-27)33-21-30(37(43)44)28-14-8-9-15-32(28)40-33/h2-21,23H,1H3,(H,39,42)(H,43,44)