2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(5-chloro-8-quinolinyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(5-chloroquinolin-8-yl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C16H14ClN4O3S- MolecularWeight: 377.82536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])COC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])COC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C16H15ClN4O3S/c1-2-21-13(19-20-16(21)25-9-14(22)23)8-24-12-6-5-11(17)10-4-3-7-18-15(10)12/h3-7H,2,8-9H2,1H3,(H,22,23)/p-1