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

Systemtic Name: 5-[2-(3,4-dimethylphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(3,4-dimethylphenyl)-4-quinolyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(3,4-dimethylphenyl)-4-quinolinyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(3,4-dimethylphenyl)quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(3,4-dimethylphenyl)-4-quinolyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C21H19N4S- MolecularWeight: 359.46736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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