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

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C23H19N4O2S- MolecularWeight: 415.48756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(=O)[O-]

InChI

InChI=1S/C23H20N4O2S/c1-3-12-27-22(25-26-23(27)30-14-21(28)29)18-13-20(16-10-8-15(2)9-11-16)24-19-7-5-4-6-17(18)19/h3-11,13H,1,12,14H2,2H3,(H,28,29)/p-1