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

Systemtic Name: 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C20H15N4O3S- MolecularWeight: 391.4231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H16N4O3S/c25-18(26)13-28-20-23-22-17(24(20)15-8-2-1-3-9-15)12-27-16-10-4-6-14-7-5-11-21-19(14)16/h1-11H,12-13H2,(H,25,26)/p-1