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

Systemtic Name: 3-[2-(4-butoxyphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-butoxyphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(4-butoxyphenyl)-4-quinolinyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-butoxyphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-butoxyphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

InChI

InChI=1S/C22H22N4OS/c1-3-4-13-27-16-11-9-15(10-12-16)20-14-18(21-24-25-22(28)26(21)2)17-7-5-6-8-19(17)23-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,28)