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

Systemtic Name: 7,8-dimethoxy-2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C20H19N5O3S/c1-12-6-4-5-7-14(12)25-16(22-23-20(25)29)11-24-19(26)17-13(10-21-24)8-9-15(27-2)18(17)28-3/h4-10H,11H2,1-3H3,(H,23,29)