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

Systemtic Name: 7,8-dimethoxy-2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[2-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[2-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C21H21N5O4S/c1-28-15-7-5-14(6-8-15)26-17(23-24-21(26)31)10-11-25-20(27)18-13(12-22-25)4-9-16(29-2)19(18)30-3/h4-9,12H,10-11H2,1-3H3,(H,24,31)