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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(4-ethoxyphenyl)-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(4-ethoxyphenyl)-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-p-phenetyl-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]acetic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC(=O)O)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC(=O)O)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-2-29-18-10-8-16(9-11-18)21-24-25-22(26(21)13-19(27)28)30-14-17-6-3-5-15-7-4-12-23-20(15)17/h3-12H,2,13-14H2,1H3,(H,27,28)