2-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-nitrophenyl)thio]nicotinic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H8N2O4S/c15-12(16)10-2-1-7-13-11(10)19-9-5-3-8(4-6-9)14(17)18/h1-7H,(H,15,16)