3-[2-(4-tert-butylphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(4-tert-butylphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-tert-butylphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(4-tert-butylphenyl)-4-quinolinyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-tert-butylphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-tert-butylphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C22H22N4S MolecularWeight: 374.50188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

InChI

InChI=1S/C22H22N4S/c1-22(2,3)15-11-9-14(10-12-15)19-13-17(20-24-25-21(27)26(20)4)16-7-5-6-8-18(16)23-19/h5-13H,1-4H3,(H,25,27)