4-(1,3-benzodioxol-5-yl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-1,2,4-triazole-3-thiolate Formula: C18H11N4O2S- MolecularWeight: 347.37054

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)/p-1