2-[4-[[2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-2-phenyl-acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-1-oxo-2-phenylethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-2-phenyl-acetyl]amino]phenyl]cinchoninic acid Formula: C34H26N6O3S MolecularWeight: 598.67364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)N)C#N

InChI

InChI=1S/C34H26N6O3S/c1-19(2)29-25(17-35)31(37)40-33(26(29)18-36)44-30(21-8-4-3-5-9-21)32(41)38-22-14-12-20(13-15-22)28-16-24(34(42)43)23-10-6-7-11-27(23)39-28/h3-16,19,30H,1-2H3,(H2,37,40)(H,38,41)(H,42,43)