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

Systemtic Name: 3-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(3-ethoxyphenyl)-4-quinolyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(3-ethoxyphenyl)-4-quinolinyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-(2-m-phenetyl-4-quinolyl)-1H-1,2,4-triazole-5-thione Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC

Isomeric SMILES

CCN1C(=NNC1=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)