4-(4-ethoxy-2-nitro-phenyl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-ethoxy-2-nitro-phenyl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-ethoxy-2-nitro-phenyl)-5-(2-quinolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-ethoxy-2-nitrophenyl)-5-(2-quinolinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-ethoxy-2-nitrophenyl)-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-ethoxy-2-nitro-phenyl)-5-(2-quinolyl)-1,2,4-triazole-3-thiolate Formula: C19H14N5O3S- MolecularWeight: 392.41116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c1-2-27-13-8-10-16(17(11-13)24(25)26)23-18(21-22-19(23)28)15-9-7-12-5-3-4-6-14(12)20-15/h3-11H,2H2,1H3,(H,22,28)/p-1