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

Systemtic Name: 6-fluoranyl-7-[(5-nonyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-[(5-nonyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[(5-nonyl-1,3,4-thiadiazol-2-yl)thio]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-[(5-nonyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[(5-nonyl-1,3,4-thiadiazol-2-yl)thio]-1H-quinoline-3-carboxylic acid Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C21H24FN3O3S2/c1-2-3-4-5-6-7-8-9-18-24-25-21(30-18)29-17-11-16-13(10-15(17)22)19(26)14(12-23-16)20(27)28/h10-12H,2-9H2,1H3,(H,23,26)(H,27,28)