1-(4-nitrophenyl)-2-sulfanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(4-nitrophenyl)-2-sulfanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(4-nitrophenyl)-2-thioxo-pyridine-3-carboxylic acid CAS Name: 1-(4-nitrophenyl)-2-sulfanylidene-3-pyridinecarboxylic acid IUPAC Name: 1-(4-nitrophenyl)-2-sulfanylidenepyridine-3-carboxylic acid Traditional Name: 1-(4-nitrophenyl)-2-thioxo-nicotinic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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