6-fluoranyl-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]thio]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]thio]-1H-quinoline-3-carboxylic acid Formula: C18H9FN4O5S2 MolecularWeight: 444.416263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(S2)SC3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(S2)SC3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C18H9FN4O5S2/c19-12-5-10-13(20-7-11(15(10)24)17(25)26)6-14(12)29-18-22-21-16(30-18)8-1-3-9(4-2-8)23(27)28/h1-7H,(H,20,24)(H,25,26)