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

Systemtic Name: 7,8-dimethoxy-2-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-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)CC3=NNC(=S)N3CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3CC4=CC=CC=C4)OC

InChI

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