2-[[4-(3-ethanoylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one

Systemtic Name: 2-[[4-(3-ethanoylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[[4-(3-acetylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(3-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(3-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[[4-(3-acetylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C21H19N5O4S/c1-12(27)13-5-4-6-15(9-13)26-17(23-24-21(26)31)11-25-20(28)18-14(10-22-25)7-8-16(29-2)19(18)30-3/h4-10H,11H2,1-3H3,(H,24,31)