6-methylsulfanyl-3-[(4-phenylphenyl)methyl]quinoline-4-carboxylic acid

Systemtic Name: 6-methylsulfanyl-3-[(4-phenylphenyl)methyl]quinoline-4-carboxylic acid Openeye Name: 6-methylsulfanyl-3-[(4-phenylphenyl)methyl]quinoline-4-carboxylic acid CAS Name: 6-(methylthio)-3-[(4-phenylphenyl)methyl]-4-quinolinecarboxylic acid IUPAC Name: 6-methylsulfanyl-3-[(4-phenylphenyl)methyl]quinoline-4-carboxylic acid Traditional Name: 6-(methylthio)-3-(4-phenylbenzyl)cinchoninic acid Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C(=CN=C2C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C(=CN=C2C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19NO2S/c1-28-20-11-12-22-21(14-20)23(24(26)27)19(15-25-22)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,14-15H,13H2,1H3,(H,26,27)