3-[2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[5-(2-quinolinyl)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(S3)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(S3)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H14N4O3S2/c25-17(21-14-6-3-5-13(10-14)19(26)27)11-28-20-24-23-18(29-20)16-9-8-12-4-1-2-7-15(12)22-16/h1-10H,11H2,(H,21,25)(H,26,27)