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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-4-quinolyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-4-quinolyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O3S/c1-27-10-4-9-26-21(24-25-22(26)30)16-12-18(23-17-6-3-2-5-15(16)17)14-7-8-19-20(11-14)29-13-28-19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,25,30)