4-[[3-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 4-[[3-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]benzoic acid Openeye Name: 4-[[3-(2-quinolylmethoxy)phenyl]methylsulfanyl]benzoic acid CAS Name: 4-[[3-(2-quinolinylmethoxy)phenyl]methylthio]benzoic acid IUPAC Name: 4-[[3-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]benzoic acid Traditional Name: 4-[[3-(2-quinolylmethoxy)benzyl]thio]benzoic acid Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CSC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CSC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19NO3S/c26-24(27)19-9-12-22(13-10-19)29-16-17-4-3-6-21(14-17)28-15-20-11-8-18-5-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27)