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

Systemtic Name: 2-[[4-(2-bromanyl-4-methyl-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C20H18BrN5O3S MolecularWeight: 488.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)Br

InChI

InChI=1S/C20H18BrN5O3S/c1-11-4-6-14(13(21)8-11)26-16(23-24-20(26)30)10-25-19(27)17-12(9-22-25)5-7-15(28-2)18(17)29-3/h4-9H,10H2,1-3H3,(H,24,30)