3-azanyl-4-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-azanyl-4-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-4-benzylsulfanyl-benzoic acid CAS Name: 3-amino-4-(phenylmethylthio)benzoic acid IUPAC Name: 3-amino-4-benzylsulfanylbenzoic acid Traditional Name: 3-amino-4-(benzylthio)benzoic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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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

Isomeric SMILES

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

InChI

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