2-[4-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]acetyl]amino]phenyl]cinchoninic acid Formula: C37H26N4O3S MolecularWeight: 606.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C37H26N4O3S/c1-23-11-13-24(14-12-23)29-19-34(25-7-3-2-4-8-25)41-36(31(29)21-38)45-22-35(42)39-27-17-15-26(16-18-27)33-20-30(37(43)44)28-9-5-6-10-32(28)40-33/h2-20H,22H2,1H3,(H,39,42)(H,43,44)