2,4-bis(fluoranyl)-5-[(4-methylsulfanylphenyl)methylamino]benzoic acid

Systemtic Name: 2,4-bis(fluoranyl)-5-[(4-methylsulfanylphenyl)methylamino]benzoic acid Openeye Name: 2,4-difluoro-5-[(4-methylsulfanylphenyl)methylamino]benzoic acid CAS Name: 2,4-difluoro-5-[[4-(methylthio)phenyl]methylamino]benzoic acid IUPAC Name: 2,4-difluoro-5-[(4-methylsulfanylphenyl)methylamino]benzoic acid Traditional Name: 2,4-difluoro-5-[[4-(methylthio)benzyl]amino]benzoic acid Formula: C15H13F2NO2S MolecularWeight: 309.331026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)O)F)F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)O)F)F

InChI

InChI=1S/C15H13F2NO2S/c1-21-10-4-2-9(3-5-10)8-18-14-6-11(15(19)20)12(16)7-13(14)17/h2-7,18H,8H2,1H3,(H,19,20)