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

Systemtic Name: 3-[2-(2,5-dimethylphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(2,5-dimethylphenyl)-4-quinolyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(2,5-dimethylphenyl)-4-quinolinyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(2,5-dimethylphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(2,5-dimethylphenyl)-4-quinolyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4S/c1-4-25-20(23-24-21(25)26)17-12-19(16-11-13(2)9-10-14(16)3)22-18-8-6-5-7-15(17)18/h5-12H,4H2,1-3H3,(H,24,26)