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

Systemtic Name: 7,8-dimethoxy-2-[2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-7,8-dimethoxy-phthalazin-1-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N5O3S/c1-28-16-9-8-15-12-22-26(20(27)18(15)19(16)29-2)11-10-17-23-24-21(30)25(17)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,24,30)