5-[4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]furan-2-carboxylic acid CAS Name: 5-[4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]furan-2-carboxylic acid Traditional Name: 5-[4-[[2-(phenylthio)nicotinoyl]amino]phenyl]-2-furoic acid Formula: C23H16N2O4S MolecularWeight: 416.44914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)C(=O)O

InChI

InChI=1S/C23H16N2O4S/c26-21(18-7-4-14-24-22(18)30-17-5-2-1-3-6-17)25-16-10-8-15(9-11-16)19-12-13-20(29-19)23(27)28/h1-14H,(H,25,26)(H,27,28)