3-[3-(4-ethoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-(4-ethoxyphenyl)-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-(4-ethoxyphenyl)-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-p-phenetyl-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]propionic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)O)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)O)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-2-30-19-10-8-17(9-11-19)22-25-26-23(27(22)14-12-20(28)29)31-15-18-6-3-5-16-7-4-13-24-21(16)18/h3-11,13H,2,12,14-15H2,1H3,(H,28,29)