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

Systemtic Name: 6-fluoranyl-7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1H-quinoline-3-carboxylic acid Formula: C13H8FN3O3S2 MolecularWeight: 337.349323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C13H8FN3O3S2/c1-5-16-17-13(21-5)22-10-3-9-6(2-8(10)14)11(18)7(4-15-9)12(19)20/h2-4H,1H3,(H,15,18)(H,19,20)