4-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-amino-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-amino-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-aminopyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-amino-2-pyridyl)thio]methyl]benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C=C2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c14-11-5-6-12(15-7-11)18-8-9-1-3-10(4-2-9)13(16)17/h1-7H,8,14H2,(H,16,17)