2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-phenyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C26H19N4O2S- MolecularWeight: 451.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)[O-]

InChI

InChI=1S/C26H20N4O2S/c1-17-11-13-18(14-12-17)23-15-21(20-9-5-6-10-22(20)27-23)25-28-29-26(33-16-24(31)32)30(25)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,31,32)/p-1