2-[(4-aminophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-aminophenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-aminobenzyl)thio]benzoic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)N

InChI

InChI=1S/C14H13NO2S/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9,15H2,(H,16,17)