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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C21H17N4O4S- MolecularWeight: 421.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N4O4S/c1-28-16-9-7-15(8-10-16)25-18(23-24-21(25)30-13-19(26)27)12-29-17-6-2-4-14-5-3-11-22-20(14)17/h2-11H,12-13H2,1H3,(H,26,27)/p-1