4-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]benzoic acid

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]benzoic acid Openeye Name: 4-[(4-oxo-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]benzoic acid CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]benzoic acid IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]benzoic acid Traditional Name: 4-[(4-keto-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]benzoic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N=CC2=CC(=O)NC(=S)N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N=CC2=CC(=O)NC(=S)N2

InChI

InChI=1S/C12H9N3O3S/c16-10-5-9(14-12(19)15-10)6-13-8-3-1-7(2-4-8)11(17)18/h1-6H,(H,17,18)(H2,14,15,16,19)