4-oxidanyl-5-oxidanylidene-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-oxidanylidene-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 4-hydroxy-5-oxo-3-(4-pyridylsulfanyl)-2-(4-pyridylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 4-hydroxy-5-oxo-3-(pyridin-4-ylthio)-2-[(pyridin-4-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 4-hydroxy-5-oxo-3-pyridin-4-ylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(4-pyridylthio)-2-[(4-pyridylthio)methyl]-2-furoic acid Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1SCC2(C(=C(C(=O)O2)O)SC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CN=CC=C1SCC2(C(=C(C(=O)O2)O)SC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C16H12N2O5S2/c19-12-13(25-11-3-7-18-8-4-11)16(15(21)22,23-14(12)20)9-24-10-1-5-17-6-2-10/h1-8,19H,9H2,(H,21,22)