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

Systemtic Name: 2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H13N4O3S- MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-19-12(17-18-15(19)23-9-13(20)21)8-22-11-6-2-4-10-5-3-7-16-14(10)11/h2-7H,8-9H2,1H3,(H,20,21)/p-1