6-chloranyl-3-methylsulfanyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-3-methylsulfanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-3-methylsulfanyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-chloro-3-(methylthio)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-3-methylsulfanyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-chloro-3-(methylthio)-2-phenyl-cinchoninic acid Formula: C17H12ClNO2S MolecularWeight: 329.80068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N=C2C=CC(=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(N=C2C=CC(=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H12ClNO2S/c1-22-16-14(17(20)21)12-9-11(18)7-8-13(12)19-15(16)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,21)