1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-5-phenylsulfanyl-4H-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-5-phenylsulfanyl-4H-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-5-phenylsulfanyl-4H-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-5-(phenylthio)-4H-quinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-5-phenylsulfanyl-4H-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-5-(phenylthio)-4H-quinoline-3-carboxylic acid Formula: C26H22F2N2O2S MolecularWeight: 464.526886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=C(C3=C(CC(=CN3C4CC4)C(=O)O)C(=C2F)SC5=CC=CC=C5)F

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=C(C3=C(CC(=CN3C4CC4)C(=O)O)C(=C2F)SC5=CC=CC=C5)F

InChI

InChI=1S/C26H22F2N2O2S/c1-14-10-16(11-15(2)29-14)21-22(27)24-20(12-17(26(31)32)13-30(24)18-8-9-18)25(23(21)28)33-19-6-4-3-5-7-19/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,31,32)