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

Systemtic Name: 7,8-dimethoxy-2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C20H19N5O4S MolecularWeight: 425.46096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=C(C=CC(=C4OC)OC)C=N3

InChI

InChI=1S/C20H19N5O4S/c1-27-14-7-5-13(6-8-14)25-16(22-23-20(25)30)11-24-19(26)17-12(10-21-24)4-9-15(28-2)18(17)29-3/h4-10H,11H2,1-3H3,(H,23,30)