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

Systemtic Name: 4-[2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C26H19N5O3S MolecularWeight: 481.52576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H19N5O3S/c32-23(27-19-13-10-18(11-14-19)25(33)34)16-35-26-30-29-24(31(26)20-7-2-1-3-8-20)22-15-12-17-6-4-5-9-21(17)28-22/h1-15H,16H2,(H,27,32)(H,33,34)