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

Systemtic Name: 3-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(3-ethoxyphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(3-ethoxyphenyl)-4-quinolinyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(3-ethoxyphenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-(2-m-phenetyl-4-quinolyl)-1H-1,2,4-triazole-5-thione Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

InChI

InChI=1S/C20H18N4OS/c1-3-25-14-8-6-7-13(11-14)18-12-16(19-22-23-20(26)24(19)2)15-9-4-5-10-17(15)21-18/h4-12H,3H2,1-2H3,(H,23,26)