4-(4-ethoxy-2-nitro-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-ethoxy-2-nitro-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-ethoxy-2-nitro-phenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-ethoxy-2-nitrophenyl)-5-[(1-oxo-2-phthalazinyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-ethoxy-2-nitrophenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-ethoxy-2-nitro-phenyl)-5-[(1-ketophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C19H15N6O4S- MolecularWeight: 423.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])CN3C(=O)C4=CC=CC=C4C=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=NN=C2[S-])CN3C(=O)C4=CC=CC=C4C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O4S/c1-2-29-13-7-8-15(16(9-13)25(27)28)24-17(21-22-19(24)30)11-23-18(26)14-6-4-3-5-12(14)10-20-23/h3-10H,2,11H2,1H3,(H,22,30)/p-1