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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC=C4)OC

InChI

InChI=1S/C20H19N5O3S/c1-27-15-9-8-13-12-21-24(19(26)17(13)18(15)28-2)11-10-16-22-23-20(29)25(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,23,29)