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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H17N5O5S/c1-27-14-5-3-11-8-21-24(19(26)17(11)18(14)28-2)9-16-22-23-20(31)25(16)12-4-6-13-15(7-12)30-10-29-13/h3-8H,9-10H2,1-2H3,(H,23,31)