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

Systemtic Name: 2-[[4-(5-chloranyl-2-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Openeye Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-1-phthalazinone IUPAC Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxyphthalazin-1-one Traditional Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C20H18ClN5O4S MolecularWeight: 459.90602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O4S/c1-28-14-7-5-12(21)8-13(14)26-16(23-24-20(26)31)10-25-19(27)17-11(9-22-25)4-6-15(29-2)18(17)30-3/h4-9H,10H2,1-3H3,(H,24,31)