3-azanyl-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-azanyl-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid CAS Name: 3-amino-4-[(2-fluorophenyl)methylthio]benzoic acid IUPAC Name: 3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-amino-4-[(2-fluorobenzyl)thio]benzoic acid Formula: C14H12FNO2S MolecularWeight: 277.313983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)O)N)F

InChI

InChI=1S/C14H12FNO2S/c15-11-4-2-1-3-10(11)8-19-13-6-5-9(14(17)18)7-12(13)16/h1-7H,8,16H2,(H,17,18)