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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-(4-methoxyphenyl)-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-(4-methoxyphenyl)-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-(4-methoxyphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-(4-methoxyphenyl)-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]propionic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)O)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)O)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-29-18-9-7-16(8-10-18)21-24-25-22(26(21)13-11-19(27)28)30-14-17-5-2-4-15-6-3-12-23-20(15)17/h2-10,12H,11,13-14H2,1H3,(H,27,28)