2-[[5-(2-phenylquinolin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-phenylquinolin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-phenyl-4-quinolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-phenyl-4-quinolinyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-phenylquinolin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-phenyl-4-quinolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC(=NN4)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC(=NN4)SCC(=O)O

InChI

InChI=1S/C19H14N4O2S/c24-17(25)11-26-19-21-18(22-23-19)14-10-16(12-6-2-1-3-7-12)20-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,24,25)(H,21,22,23)