2-(1,3,4-thiadiazol-2-ylsulfanyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1,3,4-thiadiazol-2-ylsulfanyl)quinoline-4-carboxylic acid Openeye Name: 2-(1,3,4-thiadiazol-2-ylsulfanyl)quinoline-4-carboxylic acid CAS Name: 2-(1,3,4-thiadiazol-2-ylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-(1,3,4-thiadiazol-2-ylsulfanyl)quinoline-4-carboxylic acid Traditional Name: 2-(1,3,4-thiadiazol-2-ylthio)cinchoninic acid Formula: C12H7N3O2S2 MolecularWeight: 289.33288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=NN=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=NN=CS3)C(=O)O

InChI

InChI=1S/C12H7N3O2S2/c16-11(17)8-5-10(19-12-15-13-6-18-12)14-9-4-2-1-3-7(8)9/h1-6H,(H,16,17)