4-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-piperonyl-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C19H14N4O2S/c26-19-22-21-18(15-7-6-13-3-1-2-4-14(13)20-15)23(19)10-12-5-8-16-17(9-12)25-11-24-16/h1-9H,10-11H2,(H,22,26)