3-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5-amino-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(5-amino-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 3-[(5-aminopyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-amino-2-pyridyl)thio]methyl]benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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