4-azanyl-3-[2,4-bis(fluoranyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 4-azanyl-3-[2,4-bis(fluoranyl)phenyl]sulfanyl-benzoic acid Openeye Name: 4-amino-3-(2,4-difluorophenyl)sulfanyl-benzoic acid CAS Name: 4-amino-3-[(2,4-difluorophenyl)thio]benzoic acid IUPAC Name: 4-amino-3-(2,4-difluorophenyl)sulfanylbenzoic acid Traditional Name: 4-amino-3-[(2,4-difluorophenyl)thio]benzoic acid Formula: C13H9F2NO2S MolecularWeight: 281.277866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SC2=C(C=C(C=C2)F)F)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SC2=C(C=C(C=C2)F)F)N

InChI

InChI=1S/C13H9F2NO2S/c14-8-2-4-11(9(15)6-8)19-12-5-7(13(17)18)1-3-10(12)16/h1-6H,16H2,(H,17,18)