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

Systemtic Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H15N4O3S- MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-2-20-13(18-19-16(20)24-10-14(21)22)9-23-12-7-3-5-11-6-4-8-17-15(11)12/h3-8H,2,9-10H2,1H3,(H,21,22)/p-1