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

Systemtic Name: 2-[4-[2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]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-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]acetyl]amino]phenyl]cinchoninic acid Formula: C28H22N6O3S MolecularWeight: 522.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)N)C#N

InChI

InChI=1S/C28H22N6O3S/c1-15(2)25-20(12-29)26(31)34-27(21(25)13-30)38-14-24(35)32-17-9-7-16(8-10-17)23-11-19(28(36)37)18-5-3-4-6-22(18)33-23/h3-11,15H,14H2,1-2H3,(H2,31,34)(H,32,35)(H,36,37)