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

Systemtic Name: 2-[2-[4-(3-ethanoylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[2-[4-(3-acetylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[2-[4-(3-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[2-[4-(3-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[2-[4-(3-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(=CC=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

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

InChI

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