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

Systemtic Name: 2-[2-[4-(2-bromanyl-4-methyl-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[2-[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[2-[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[2-[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[2-[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]-7,8-dimethoxy-phthalazin-1-one Formula: C21H20BrN5O3S MolecularWeight: 502.3842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3)Br

InChI

InChI=1S/C21H20BrN5O3S/c1-12-4-6-15(14(22)10-12)27-17(24-25-21(27)31)8-9-26-20(28)18-13(11-23-26)5-7-16(29-2)19(18)30-3/h4-7,10-11H,8-9H2,1-3H3,(H,25,31)