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

Systemtic Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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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)