5-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(3-ethoxyphenyl)-4-quinolyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(3-ethoxyphenyl)-4-quinolinyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-(2-m-phenetyl-4-quinolyl)-1,2,4-triazole-3-thiolate Formula: C21H19N4OS- MolecularWeight: 375.46676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC

Isomeric SMILES

CCN1C(=NN=C1[S-])C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC

InChI

InChI=1S/C21H20N4OS/c1-3-25-20(23-24-21(25)27)17-13-19(22-18-11-6-5-10-16(17)18)14-8-7-9-15(12-14)26-4-2/h5-13H,3-4H2,1-2H3,(H,24,27)/p-1