cobalt(2+); 4-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: cobalt(2+); 4-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: cobaltous 4-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: cobalt(2+); 4-[4-[(5,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: cobalt(2+); 4-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: cobaltous 4-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate Formula: C44H40CoN14O10S2 MolecularWeight: 1047.9394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H21N7O5S.Co/c2*1-14-18(22(30)29(27-14)16-7-5-4-6-8-16)26-25-15-9-11-17(12-10-15)35(31,32)28-20-19(33-2)21(34-3)24-13-23-20;/h2*4-13,30H,1-3H3,(H,23,24,28);/q;;+2/p-2