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

Systemtic Name: 2-[[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C21H21N5O5S/c1-28-13-6-8-15(29-2)14(9-13)26-17(23-24-21(26)32)11-25-20(27)18-12(10-22-25)5-7-16(30-3)19(18)31-4/h5-10H,11H2,1-4H3,(H,24,32)