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

Systemtic Name: 2-[(4-quinolin-5-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-quinolinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-quinolin-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-(5-quinolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)N3C=NN=C3SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)N3C=NN=C3SCC(=O)O

InChI

InChI=1S/C13H10N4O2S/c18-12(19)7-20-13-16-15-8-17(13)11-5-1-4-10-9(11)3-2-6-14-10/h1-6,8H,7H2,(H,18,19)