2-[[4-(4-ethoxy-2-nitro-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(4-ethoxy-2-nitro-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-ethoxy-2-nitro-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-ethoxy-2-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-ethoxy-2-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-ethoxy-2-nitro-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C19H16N6O4S MolecularWeight: 424.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=NNC2=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)