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

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[2-[4-(4-acetylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[2-[4-(4-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[2-[4-(4-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[2-[4-(4-acetylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C22H21N5O4S/c1-13(28)14-4-7-16(8-5-14)27-18(24-25-22(27)32)10-11-26-21(29)19-15(12-23-26)6-9-17(30-2)20(19)31-3/h4-9,12H,10-11H2,1-3H3,(H,25,32)