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

Systemtic Name: 2-[3-(4-methylphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(p-tolyl)-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(4-methylphenyl)-5-(8-quinolinylmethylthio)-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-(p-tolyl)-5-(8-quinolylmethylthio)-1,2,4-triazol-4-yl]acetic acid Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)O)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)O)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-14-7-9-16(10-8-14)20-23-24-21(25(20)12-18(26)27)28-13-17-5-2-4-15-6-3-11-22-19(15)17/h2-11H,12-13H2,1H3,(H,26,27)