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

Systemtic Name: 7,8-dimethoxy-2-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4OC)OC

InChI

InChI=1S/C20H19N5O4S/c1-27-14-7-5-4-6-13(14)25-16(22-23-20(25)30)11-24-19(26)17-12(10-21-24)8-9-15(28-2)18(17)29-3/h4-10H,11H2,1-3H3,(H,23,30)