4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-quinolin-6-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-quinolin-6-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(6-quinolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(6-quinolinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-quinolin-6-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(6-quinolyl)-1,2,4-triazole-3-thiolate Formula: C19H13N4O2S- MolecularWeight: 361.39712

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC5=C(C=C4)N=CC=C5

InChI

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