copper 5-methyl-2-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]pyrazol-3-olate

Systemtic Name: copper 5-methyl-2-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]pyrazol-3-olate Openeye Name: copper 5-methyl-2-phenyl-4-[4-(pyrimidin-2-ylsulfamoyl)phenyl]azo-pyrazol-3-olate CAS Name: copper 5-methyl-2-phenyl-4-[4-(2-pyrimidinylsulfamoyl)phenyl]azo-3-pyrazololate IUPAC Name: copper 5-methyl-2-phenyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]pyrazol-3-olate Traditional Name: cupric 5-methyl-2-phenyl-4-[4-(2-pyrimidylsulfamoyl)phenyl]azo-pyrazol-3-olate Formula: C40H32CuN14O6S2 MolecularWeight: 932.44828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[O-])C4=CC=CC=C4.[Cu+2]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[O-])C4=CC=CC=C4.[Cu+2]

InChI

InChI=1S/2C20H17N7O3S.Cu/c2*1-14-18(19(28)27(25-14)16-6-3-2-4-7-16)24-23-15-8-10-17(11-9-15)31(29,30)26-20-21-12-5-13-22-20;/h2*2-13,28H,1H3,(H,21,22,26);/q;;+2/p-2